8-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide

C18H22N4O3 — CID 74244774

IUPAC8-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1cccc2c1OCC(C(=O)NCc1cc3n(n1)CCNC3)C2
InChIInChI=1S/C18H22N4O3/c1-24-16-4-2-3-12-7-13(11-25-17(12)16)18(23)20-9-14-8-15-10-19-5-6-22(15)21-14/h2-4,8,13,19H,5-7,9-11H2,1H3,(H,20,23)
InChIKeyLOASPCMOVOMVMS-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.86
Rot. Bonds4

About 8-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide

8-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 74244774) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 8-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID74244774
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name8-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1cccc2c1OCC(C(=O)NCc1cc3n(n1)CCNC3)C2
InChIInChI=1S/C18H22N4O3/c1-24-16-4-2-3-12-7-13(11-25-17(12)16)18(23)20-9-14-8-15-10-19-5-6-22(15)21-14/h2-4,8,13,19H,5-7,9-11H2,1H3,(H,20,23)
InChIKeyLOASPCMOVOMVMS-UHFFFAOYSA-N
XLogP0.86
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97110056
(3S)-8-methoxy-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97136197
8-methoxy-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72927823
(3S)-N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 98303481
(3R)-8-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97195271
(3R)-8-methoxy-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95123510
(3S)-8-methoxy-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95123511
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 56718456
(3R)-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97113078
8-methoxy-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 70782110
(3S)-8-methoxy-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97194876
(3S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97139845

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 8-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 74244774) is 8-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 8-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 8-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide is COc1cccc2c1OCC(C(=O)NCc1cc3n(n1)CCNC3)C2.
What is the InChIKey of 8-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is LOASPCMOVOMVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-24-16-4-2-3-12-7-13(11-25-17(12)16)18(23)20-9-14-8-15-10-19-5-6-22(15)21-14/h2-4,8,13,19H,5-7,9-11H2,1H3,(H,20,23).
What are the key properties of 8-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
8-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 74244774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).