5-[[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-6,7-dihydrotriazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde

C18H17N9O2 — CID 123534211

IUPAC5-[[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-6,7-dihydrotriazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde
SMILESO=Cc1cnn2ccc(Cn3nnc4c3N=C(c3cnn(CCO)c3)CN4)cc12
InChIInChI=1S/C18H17N9O2/c28-4-3-25-10-13(6-20-25)15-8-19-17-18(22-15)27(24-23-17)9-12-1-2-26-16(5-12)14(11-29)7-21-26/h1-2,5-7,10-11,19,28H,3-4,8-9H2
InChIKeyKGJMENFBCPUSDS-UHFFFAOYSA-N
MW391.40 g/mol
LogP0.52
Rot. Bonds6

About 5-[[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-6,7-dihydrotriazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde

5-[[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-6,7-dihydrotriazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde (PubChem CID 123534211) has the molecular formula C18H17N9O2 and a molecular weight of 391.40 g/mol. Its IUPAC name is 5-[[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-6,7-dihydrotriazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-[[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-6,7-dihydrotriazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde
PubChem CID123534211
Molecular FormulaC18H17N9O2
Molecular Weight391.40 g/mol
Exact Mass391.15
IUPAC Name5-[[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-6,7-dihydrotriazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde
SMILESO=Cc1cnn2ccc(Cn3nnc4c3N=C(c3cnn(CCO)c3)CN4)cc12
InChIInChI=1S/C18H17N9O2/c28-4-3-25-10-13(6-20-25)15-8-19-17-18(22-15)27(24-23-17)9-12-1-2-26-16(5-12)14(11-29)7-21-26/h1-2,5-7,10-11,19,28H,3-4,8-9H2
InChIKeyKGJMENFBCPUSDS-UHFFFAOYSA-N
XLogP0.52
TPSA127.52 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.40
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-N-methyl-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592265
N-(1-methylpyrazol-3-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
CID 127038679
N-methyl-7-[(1-methylpyrazol-3-yl)amino]-2-phenyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592216
N-[4-[1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-3-carbonyl]-2-pyridinyl]-2-(triazol-2-yl)acetamide
CID 121231301
2-Fluoro-3-[[6-[[1-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrazolo[4,3-c]pyridin-1-yl]methyl]benzamide
CID 71246901
4-[[(3S,4S)-1-(6-cyanopyridazin-3-yl)-4-(fluoromethyl)pyrrolidin-3-yl]amino]-6-(1-ethylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 117868064
4-[[(3S,4R)-1-(6-cyanopyridazin-3-yl)-4-(fluoromethyl)pyrrolidin-3-yl]amino]-6-(1-ethylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 117868065
6-(1-methylpyrazol-4-yl)-4-[[(3S,4S)-4-methyl-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 117868165
6-(1-methylpyrazol-4-yl)-4-[[(3S,4R)-4-methyl-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 117868166
4-[[(3S,4S)-4-ethyl-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrrolidin-3-yl]amino]-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 117868272
4-[[(3S,4R)-4-ethyl-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrrolidin-3-yl]amino]-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 117868273
4-[[(3S,4S)-4-ethyl-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrrolidin-3-yl]amino]-6-[1-(2-hydroxypropyl)pyrazol-4-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 117868274

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-6,7-dihydrotriazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde?
The IUPAC name of 5-[[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-6,7-dihydrotriazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde (CID 123534211) is 5-[[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-6,7-dihydrotriazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 5-[[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-6,7-dihydrotriazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde?
The canonical SMILES for 5-[[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-6,7-dihydrotriazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde is O=Cc1cnn2ccc(Cn3nnc4c3N=C(c3cnn(CCO)c3)CN4)cc12.
What is the InChIKey of 5-[[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-6,7-dihydrotriazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde?
The InChIKey is KGJMENFBCPUSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N9O2/c28-4-3-25-10-13(6-20-25)15-8-19-17-18(22-15)27(24-23-17)9-12-1-2-26-16(5-12)14(11-29)7-21-26/h1-2,5-7,10-11,19,28H,3-4,8-9H2.
What are the key properties of 5-[[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-6,7-dihydrotriazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde?
5-[[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-6,7-dihydrotriazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde has a molecular weight of 391.40 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-6,7-dihydrotriazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 123534211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).