4-amino-N-cyclopropyl-N-[[5-(3-hydroxypropylidene)-4H-pyridin-2-yl]methyl]-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide

C24H26N6O2 — CID 170694923

IUPAC4-amino-N-cyclopropyl-N-[[5-(3-hydroxypropylidene)-4H-pyridin-2-yl]methyl]-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCn1ncc2c(N)nc3ccc(C(=O)N(CC4=CCC(=CCCO)C=N4)C4CC4)cc3c21
InChIInChI=1S/C24H26N6O2/c1-29-22-19-11-16(5-9-21(19)28-23(25)20(22)13-27-29)24(32)30(18-7-8-18)14-17-6-4-15(12-26-17)3-2-10-31/h3,5-6,9,11-13,18,31H,2,4,7-8,10,14H2,1H3,(H2,25,28)
InChIKeyALVIGCRXHWCYPQ-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.98
Rot. Bonds6

About 4-amino-N-cyclopropyl-N-[[5-(3-hydroxypropylidene)-4H-pyridin-2-yl]methyl]-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide

4-amino-N-cyclopropyl-N-[[5-(3-hydroxypropylidene)-4H-pyridin-2-yl]methyl]-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide (PubChem CID 170694923) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-N-[[5-(3-hydroxypropylidene)-4H-pyridin-2-yl]methyl]-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-N-[[5-(3-hydroxypropylidene)-4H-pyridin-2-yl]methyl]-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide
PubChem CID170694923
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name4-amino-N-cyclopropyl-N-[[5-(3-hydroxypropylidene)-4H-pyridin-2-yl]methyl]-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCn1ncc2c(N)nc3ccc(C(=O)N(CC4=CCC(=CCCO)C=N4)C4CC4)cc3c21
InChIInChI=1S/C24H26N6O2/c1-29-22-19-11-16(5-9-21(19)28-23(25)20(22)13-27-29)24(32)30(18-7-8-18)14-17-6-4-15(12-26-17)3-2-10-31/h3,5-6,9,11-13,18,31H,2,4,7-8,10,14H2,1H3,(H2,25,28)
InChIKeyALVIGCRXHWCYPQ-UHFFFAOYSA-N
XLogP2.98
TPSA109.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-N-cyclopropyl-1-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 163382618
4-amino-N-cyclopropyl-N-[[5-[2-(3-methoxyoxetan-3-yl)ethynyl]-2-pyridinyl]methyl]-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide
CID 172555264
4-amino-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-N,1-dimethylpyrazolo[4,5-c]quinoline-8-carboxamide
CID 163383387
4-amino-N'-(cyclopropanecarbonyl)-N-[dihydroxy-[5-(trifluoromethyl)-2-pyridinyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide
CID 171822844
4-amino-N'-(2-cyclopropyl-2,2-difluoroacetyl)-N',1-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide
CID 171822862
4-amino-N'-(cyclopropylmethyl)-N',1-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide
CID 171822885
4-amino-N'-(cyclopropanecarbonyl)-N'-ethyl-1-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide
CID 171823559
4-amino-1-methyl-N-thiomorpholin-4-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 174376750
4-amino-N,1-dimethyl-N-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)pyrazolo[4,5-c]quinoline-8-carboxamide
CID 164867164
4-amino-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methyl-N-(2-oxopyrrolidin-1-yl)pyrazolo[4,5-c]quinoline-8-carboxamide
CID 171823473
cyclobutyl N-[(4-amino-1-methylpyrazolo[4,5-c]quinoline-8-carbonyl)-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-N-methylcarbamate
CID 171823365
4-amino-N,1-dimethyl-N-[(3S)-5-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 170429701

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-N-[[5-(3-hydroxypropylidene)-4H-pyridin-2-yl]methyl]-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide?
The IUPAC name of 4-amino-N-cyclopropyl-N-[[5-(3-hydroxypropylidene)-4H-pyridin-2-yl]methyl]-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide (CID 170694923) is 4-amino-N-cyclopropyl-N-[[5-(3-hydroxypropylidene)-4H-pyridin-2-yl]methyl]-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-N-[[5-(3-hydroxypropylidene)-4H-pyridin-2-yl]methyl]-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-N-cyclopropyl-N-[[5-(3-hydroxypropylidene)-4H-pyridin-2-yl]methyl]-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide is Cn1ncc2c(N)nc3ccc(C(=O)N(CC4=CCC(=CCCO)C=N4)C4CC4)cc3c21.
What is the InChIKey of 4-amino-N-cyclopropyl-N-[[5-(3-hydroxypropylidene)-4H-pyridin-2-yl]methyl]-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide?
The InChIKey is ALVIGCRXHWCYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-29-22-19-11-16(5-9-21(19)28-23(25)20(22)13-27-29)24(32)30(18-7-8-18)14-17-6-4-15(12-26-17)3-2-10-31/h3,5-6,9,11-13,18,31H,2,4,7-8,10,14H2,1H3,(H2,25,28).
What are the key properties of 4-amino-N-cyclopropyl-N-[[5-(3-hydroxypropylidene)-4H-pyridin-2-yl]methyl]-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide?
4-amino-N-cyclopropyl-N-[[5-(3-hydroxypropylidene)-4H-pyridin-2-yl]methyl]-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-N-[[5-(3-hydroxypropylidene)-4H-pyridin-2-yl]methyl]-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide is sourced from PubChem (CID 170694923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).