2-(2,3-dihydro-1H-inden-2-ylamino)-N-[3-oxo-3-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)propyl]pyrimidine-5-carboxamide;3-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]propanoic acid;2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboxylic acid;ethyl 3-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]propanoate;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride

C77H86ClN23O10 — CID 161335030

IUPAC2-(2,3-dihydro-1H-inden-2-ylamino)-N-[3-oxo-3-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)propyl]pyrimidine-5-carboxamide;3-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]propanoic acid;2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboxylic acid;ethyl 3-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]propanoate;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride
SMILESC1Cc2n[nH]nc2CN1.CCOC(=O)CCNC(=O)c1cnc(NC2Cc3ccccc3C2)nc1.Cl.O=C(NCCC(=O)N1CCc2n[nH]nc2C1)c1cnc(NC2Cc3ccccc3C2)nc1.O=C(O)CCNC(=O)c1cnc(NC2Cc3ccccc3C2)nc1.O=C(O)c1cnc(NC2Cc3ccccc3C2)nc1
InChIInChI=1S/C22H24N8O2.C19H22N4O3.C17H18N4O3.C14H13N3O2.C5H8N4.ClH/c31-20(30-8-6-18-19(13-30)28-29-27-18)5-7-23-21(32)16-11-24-22(25-12-16)26-17-9-14-3-1-2-4-15(14)10-17;1-2-26-17(24)7-8-20-18(25)15-11-21-19(22-12-15)23-16-9-13-5-3-4-6-14(13)10-16;22-15(23)5-6-18-16(24)13-9-19-17(20-10-13)21-14-7-11-3-1-2-4-12(11)8-14;18-13(19)11-7-15-14(16-8-11)17-12-5-9-3-1-2-4-10(9)6-12;1-2-6-3-5-4(1)7-9-8-5;/h1-4,11-12,17H,5-10,13H2,(H,23,32)(H,24,25,26)(H,27,28,29);3-6,11-12,16H,2,7-10H2,1H3,(H,20,25)(H,21,22,23);1-4,9-10,14H,5-8H2,(H,18,24)(H,22,23)(H,19,20,21);1-4,7-8,12H,5-6H2,(H,18,19)(H,15,16,17);6H,1-3H2,(H,7,8,9);1H
InChIKeySUXSUMSYWLMSQW-UHFFFAOYSA-N
MW1529.14 g/mol
LogP5.50
Rot. Bonds22

About 2-(2,3-dihydro-1H-inden-2-ylamino)-N-[3-oxo-3-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)propyl]pyrimidine-5-carboxamide;3-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]propanoic acid;2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboxylic acid;ethyl 3-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]propanoate;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride

2-(2,3-dihydro-1H-inden-2-ylamino)-N-[3-oxo-3-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)propyl]pyrimidine-5-carboxamide;3-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]propanoic acid;2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboxylic acid;ethyl 3-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]propanoate;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride (PubChem CID 161335030) has the molecular formula C77H86ClN23O10 and a molecular weight of 1529.14 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-ylamino)-N-[3-oxo-3-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)propyl]pyrimidine-5-carboxamide;3-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]propanoic acid;2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboxylic acid;ethyl 3-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]propanoate;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-2-ylamino)-N-[3-oxo-3-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)propyl]pyrimidine-5-carboxamide;3-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]propanoic acid;2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboxylic acid;ethyl 3-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]propanoate;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride
PubChem CID161335030
Molecular FormulaC77H86ClN23O10
Molecular Weight1529.14 g/mol
Exact Mass1527.66
IUPAC Name2-(2,3-dihydro-1H-inden-2-ylamino)-N-[3-oxo-3-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)propyl]pyrimidine-5-carboxamide;3-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]propanoic acid;2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboxylic acid;ethyl 3-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]propanoate;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride
SMILESC1Cc2n[nH]nc2CN1.CCOC(=O)CCNC(=O)c1cnc(NC2Cc3ccccc3C2)nc1.Cl.O=C(NCCC(=O)N1CCc2n[nH]nc2C1)c1cnc(NC2Cc3ccccc3C2)nc1.O=C(O)CCNC(=O)c1cnc(NC2Cc3ccccc3C2)nc1.O=C(O)c1cnc(NC2Cc3ccccc3C2)nc1
InChIInChI=1S/C22H24N8O2.C19H22N4O3.C17H18N4O3.C14H13N3O2.C5H8N4.ClH/c31-20(30-8-6-18-19(13-30)28-29-27-18)5-7-23-21(32)16-11-24-22(25-12-16)26-17-9-14-3-1-2-4-15(14)10-17;1-2-26-17(24)7-8-20-18(25)15-11-21-19(22-12-15)23-16-9-13-5-3-4-6-14(13)10-16;22-15(23)5-6-18-16(24)13-9-19-17(20-10-13)21-14-7-11-3-1-2-4-12(11)8-14;18-13(19)11-7-15-14(16-8-11)17-12-5-9-3-1-2-4-10(9)6-12;1-2-6-3-5-4(1)7-9-8-5;/h1-4,11-12,17H,5-10,13H2,(H,23,32)(H,24,25,26)(H,27,28,29);3-6,11-12,16H,2,7-10H2,1H3,(H,20,25)(H,21,22,23);1-4,9-10,14H,5-8H2,(H,18,24)(H,22,23)(H,19,20,21);1-4,7-8,12H,5-6H2,(H,18,19)(H,15,16,17);6H,1-3H2,(H,7,8,9);1H
InChIKeySUXSUMSYWLMSQW-UHFFFAOYSA-N
XLogP5.50
TPSA454.92 Ų
H-Bond Donors12
H-Bond Acceptors25
Rotatable Bonds22
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001529.14
LogP ≤ 55.50
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1025

Analyze 2-(2,3-dihydro-1H-inden-2-ylamino)-N-[3-oxo-3-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)propyl]pyrimidine-5-carboxamide;3-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]propanoic acid;2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboxylic acid;ethyl 3-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]propanoate;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-2-ylamino)-N-[3-oxo-3-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)propyl]pyrimidine-5-carboxamide;3-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]propanoic acid;2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboxylic acid;ethyl 3-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]propanoate;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride?
The IUPAC name of 2-(2,3-dihydro-1H-inden-2-ylamino)-N-[3-oxo-3-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)propyl]pyrimidine-5-carboxamide;3-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]propanoic acid;2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboxylic acid;ethyl 3-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]propanoate;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride (CID 161335030) is 2-(2,3-dihydro-1H-inden-2-ylamino)-N-[3-oxo-3-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)propyl]pyrimidine-5-carboxamide;3-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]propanoic acid;2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboxylic acid;ethyl 3-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]propanoate;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-ylamino)-N-[3-oxo-3-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)propyl]pyrimidine-5-carboxamide;3-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]propanoic acid;2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboxylic acid;ethyl 3-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]propanoate;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-ylamino)-N-[3-oxo-3-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)propyl]pyrimidine-5-carboxamide;3-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]propanoic acid;2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboxylic acid;ethyl 3-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]propanoate;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride is C1Cc2n[nH]nc2CN1.CCOC(=O)CCNC(=O)c1cnc(NC2Cc3ccccc3C2)nc1.Cl.O=C(NCCC(=O)N1CCc2n[nH]nc2C1)c1cnc(NC2Cc3ccccc3C2)nc1.O=C(O)CCNC(=O)c1cnc(NC2Cc3ccccc3C2)nc1.O=C(O)c1cnc(NC2Cc3ccccc3C2)nc1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-ylamino)-N-[3-oxo-3-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)propyl]pyrimidine-5-carboxamide;3-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]propanoic acid;2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboxylic acid;ethyl 3-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]propanoate;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride?
The InChIKey is SUXSUMSYWLMSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O2.C19H22N4O3.C17H18N4O3.C14H13N3O2.C5H8N4.ClH/c31-20(30-8-6-18-19(13-30)28-29-27-18)5-7-23-21(32)16-11-24-22(25-12-16)26-17-9-14-3-1-2-4-15(14)10-17;1-2-26-17(24)7-8-20-18(25)15-11-21-19(22-12-15)23-16-9-13-5-3-4-6-14(13)10-16;22-15(23)5-6-18-16(24)13-9-19-17(20-10-13)21-14-7-11-3-1-2-4-12(11)8-14;18-13(19)11-7-15-14(16-8-11)17-12-5-9-3-1-2-4-10(9)6-12;1-2-6-3-5-4(1)7-9-8-5;/h1-4,11-12,17H,5-10,13H2,(H,23,32)(H,24,25,26)(H,27,28,29);3-6,11-12,16H,2,7-10H2,1H3,(H,20,25)(H,21,22,23);1-4,9-10,14H,5-8H2,(H,18,24)(H,22,23)(H,19,20,21);1-4,7-8,12H,5-6H2,(H,18,19)(H,15,16,17);6H,1-3H2,(H,7,8,9);1H.
What are the key properties of 2-(2,3-dihydro-1H-inden-2-ylamino)-N-[3-oxo-3-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)propyl]pyrimidine-5-carboxamide;3-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]propanoic acid;2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboxylic acid;ethyl 3-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]propanoate;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride?
2-(2,3-dihydro-1H-inden-2-ylamino)-N-[3-oxo-3-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)propyl]pyrimidine-5-carboxamide;3-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]propanoic acid;2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboxylic acid;ethyl 3-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]propanoate;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride has a molecular weight of 1529.14 g/mol, XLogP of 5.50, 22 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-2-ylamino)-N-[3-oxo-3-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)propyl]pyrimidine-5-carboxamide;3-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]propanoic acid;2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboxylic acid;ethyl 3-[[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbonyl]amino]propanoate;4,5,6,7-tetrahydro-2H-triazolo[4,5-c]pyridine;hydrochloride is sourced from PubChem (CID 161335030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).