8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-(N-piperazin-2-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide

C27H27N7O2 — CID 69179280

IUPAC8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-(N-piperazin-2-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(N(c3ccccc3)C3CNCCN3)ncc2c1=O
InChIInChI=1S/C27H27N7O2/c28-25(36)22-16-33(20-10-9-17-5-4-6-18(17)13-20)26-21(24(22)35)14-31-27(32-26)34(19-7-2-1-3-8-19)23-15-29-11-12-30-23/h1-3,7-10,13-14,16,23,29-30H,4-6,11-12,15H2,(H2,28,36)
InChIKeyRTFVVRTVMVLYRL-UHFFFAOYSA-N
MW481.56 g/mol
LogP2.03
Rot. Bonds5

About 8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-(N-piperazin-2-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide

8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-(N-piperazin-2-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 69179280) has the molecular formula C27H27N7O2 and a molecular weight of 481.56 g/mol. Its IUPAC name is 8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-(N-piperazin-2-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-(N-piperazin-2-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID69179280
Molecular FormulaC27H27N7O2
Molecular Weight481.56 g/mol
Exact Mass481.22
IUPAC Name8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-(N-piperazin-2-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(N(c3ccccc3)C3CNCCN3)ncc2c1=O
InChIInChI=1S/C27H27N7O2/c28-25(36)22-16-33(20-10-9-17-5-4-6-18(17)13-20)26-21(24(22)35)14-31-27(32-26)34(19-7-2-1-3-8-19)23-15-29-11-12-30-23/h1-3,7-10,13-14,16,23,29-30H,4-6,11-12,15H2,(H2,28,36)
InChIKeyRTFVVRTVMVLYRL-UHFFFAOYSA-N
XLogP2.03
TPSA118.17 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-[propyl(pyrrolidin-1-yl)amino]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 91536900
8-(2,3-dihydro-1H-inden-5-yl)-2-(4-fluoroanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 141171388
8-(2,3-dihydro-1H-inden-5-yl)-2-[3-(dimethylamino)anilino]-5-oxopyrido[2,3-d]pyrimidin-3-ium-6-carboxamide
CID 143427762
carbamoyl 8-(2,3-dihydro-1H-inden-5-yl)-2-[morpholin-4-yl(propyl)amino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 91368866
4-[[8-(2,3-dihydro-1H-inden-5-yl)-6-(methoxycarbamoyl)-5-oxopyrido[2,3-d]pyrimidin-2-yl]amino]benzenesulfinic acid
CID 89270255
ethyl 8-(2,3-dihydro-1H-inden-5-yl)-2-[3-(3,5-dimethylpiperazin-1-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 68678399
5-oxo-8-phenyl-2-(2-pyrrolidin-1-ylethylamino)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 68584083
7-amino-8-ethyl-5-oxo-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 123568985
2-[4-(2-aminoethyl)anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 86620190
2-[4-(2-aminoethyl)anilino]-8-(2,3-dihydro-1H-inden-5-yl)-6-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-5-one
CID 71096321
ethyl 8-(2,3-dihydro-1H-inden-5-yl)-2-[4-(2-methylsulfonylethyl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 69099129
8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-(pyridin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 59724160

Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-(N-piperazin-2-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-(N-piperazin-2-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide (CID 69179280) is 8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-(N-piperazin-2-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-(N-piperazin-2-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-(N-piperazin-2-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide is NC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(N(c3ccccc3)C3CNCCN3)ncc2c1=O.
What is the InChIKey of 8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-(N-piperazin-2-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is RTFVVRTVMVLYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O2/c28-25(36)22-16-33(20-10-9-17-5-4-6-18(17)13-20)26-21(24(22)35)14-31-27(32-26)34(19-7-2-1-3-8-19)23-15-29-11-12-30-23/h1-3,7-10,13-14,16,23,29-30H,4-6,11-12,15H2,(H2,28,36).
What are the key properties of 8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-(N-piperazin-2-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide?
8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-(N-piperazin-2-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 481.56 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-(N-piperazin-2-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 69179280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).