5-[[[6-[1-amino-3-(2-hydroxyethylimino)prop-1-en-2-yl]-3-hydrazinylpyrazin-2-yl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde

C18H21N9O2 — CID 174019707

IUPAC5-[[[6-[1-amino-3-(2-hydroxyethylimino)prop-1-en-2-yl]-3-hydrazinylpyrazin-2-yl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde
SMILESNC=C(/C=N/CCO)c1cnc(NN)c(NCc2ccn3ncc(C=O)c3c2)n1
InChIInChI=1S/C18H21N9O2/c19-6-13(8-21-2-4-28)15-10-23-18(26-20)17(25-15)22-7-12-1-3-27-16(5-12)14(11-29)9-24-27/h1,3,5-6,8-11,28H,2,4,7,19-20H2,(H,22,25)(H,23,26)/b13-6?,21-8+
InChIKeyPYNZYZFSSXOFAS-BZXOLRGMSA-N
MW395.43 g/mol
LogP0.20
Rot. Bonds9

About 5-[[[6-[1-amino-3-(2-hydroxyethylimino)prop-1-en-2-yl]-3-hydrazinylpyrazin-2-yl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde

5-[[[6-[1-amino-3-(2-hydroxyethylimino)prop-1-en-2-yl]-3-hydrazinylpyrazin-2-yl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde (PubChem CID 174019707) has the molecular formula C18H21N9O2 and a molecular weight of 395.43 g/mol. Its IUPAC name is 5-[[[6-[1-amino-3-(2-hydroxyethylimino)prop-1-en-2-yl]-3-hydrazinylpyrazin-2-yl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-[[[6-[1-amino-3-(2-hydroxyethylimino)prop-1-en-2-yl]-3-hydrazinylpyrazin-2-yl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde
PubChem CID174019707
Molecular FormulaC18H21N9O2
Molecular Weight395.43 g/mol
Exact Mass395.18
IUPAC Name5-[[[6-[1-amino-3-(2-hydroxyethylimino)prop-1-en-2-yl]-3-hydrazinylpyrazin-2-yl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde
SMILESNC=C(/C=N/CCO)c1cnc(NN)c(NCc2ccn3ncc(C=O)c3c2)n1
InChIInChI=1S/C18H21N9O2/c19-6-13(8-21-2-4-28)15-10-23-18(26-20)17(25-15)22-7-12-1-3-27-16(5-12)14(11-29)9-24-27/h1,3,5-6,8-11,28H,2,4,7,19-20H2,(H,22,25)(H,23,26)/b13-6?,21-8+
InChIKeyPYNZYZFSSXOFAS-BZXOLRGMSA-N
XLogP0.20
TPSA168.84 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.43
LogP ≤ 50.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-formylpyrazolo[1,5-a]pyridine-5-carboxamide;5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde
CID 160861137
3-formylpyrazolo[1,5-a]pyridine-5-carboxamide
CID 25171438
3-hydrazinyl-N-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazin-2-amine
CID 123180700
5-[[[3-amino-6-[1-(2-hydroxyethylamino)-3-iminopropan-2-yl]-1,2-dihydropyrazin-2-yl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde
CID 123993113
3-formylpyrazolo[1,5-a]pyridine-5-carboxylic acid
CID 59476245
5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-N-[(3-bromoimidazo[1,2-a]pyridin-6-yl)methyl]pyrazine-2,3-diamine
CID 147770609
4-(1-acetylpiperidin-4-yl)oxy-5-[1-amino-3-(2-hydroxyethylimino)prop-1-en-2-yl]-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide
CID 174020365
(3-chloropyrazolo[1,5-a]pyridin-5-yl)methanol
CID 163230560
(3-methylpyrazolo[1,5-a]pyridin-5-yl)methanol
CID 158915350
2-[[3-amino-2-[3-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyridin-5-yl]prop-2-enylidene]amino]ethanol
CID 173469493
3-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]benzoic acid
CID 104729385
5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 130048261

Frequently Asked Questions

What is the IUPAC name of 5-[[[6-[1-amino-3-(2-hydroxyethylimino)prop-1-en-2-yl]-3-hydrazinylpyrazin-2-yl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde?
The IUPAC name of 5-[[[6-[1-amino-3-(2-hydroxyethylimino)prop-1-en-2-yl]-3-hydrazinylpyrazin-2-yl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde (CID 174019707) is 5-[[[6-[1-amino-3-(2-hydroxyethylimino)prop-1-en-2-yl]-3-hydrazinylpyrazin-2-yl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 5-[[[6-[1-amino-3-(2-hydroxyethylimino)prop-1-en-2-yl]-3-hydrazinylpyrazin-2-yl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde?
The canonical SMILES for 5-[[[6-[1-amino-3-(2-hydroxyethylimino)prop-1-en-2-yl]-3-hydrazinylpyrazin-2-yl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde is NC=C(/C=N/CCO)c1cnc(NN)c(NCc2ccn3ncc(C=O)c3c2)n1.
What is the InChIKey of 5-[[[6-[1-amino-3-(2-hydroxyethylimino)prop-1-en-2-yl]-3-hydrazinylpyrazin-2-yl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde?
The InChIKey is PYNZYZFSSXOFAS-BZXOLRGMSA-N. The full InChI is InChI=1S/C18H21N9O2/c19-6-13(8-21-2-4-28)15-10-23-18(26-20)17(25-15)22-7-12-1-3-27-16(5-12)14(11-29)9-24-27/h1,3,5-6,8-11,28H,2,4,7,19-20H2,(H,22,25)(H,23,26)/b13-6?,21-8+.
What are the key properties of 5-[[[6-[1-amino-3-(2-hydroxyethylimino)prop-1-en-2-yl]-3-hydrazinylpyrazin-2-yl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde?
5-[[[6-[1-amino-3-(2-hydroxyethylimino)prop-1-en-2-yl]-3-hydrazinylpyrazin-2-yl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde has a molecular weight of 395.43 g/mol, XLogP of 0.20, 9 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[6-[1-amino-3-(2-hydroxyethylimino)prop-1-en-2-yl]-3-hydrazinylpyrazin-2-yl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 174019707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).