N-[3-hydroxy-5-[3-(3-methylpyrazolo[4,5-c]pyridin-1-yl)phenyl]pent-4-ynyl]-N-methylformamide

C20H20N4O2 — CID 144793240

IUPACN-[3-hydroxy-5-[3-(3-methylpyrazolo[4,5-c]pyridin-1-yl)phenyl]pent-4-ynyl]-N-methylformamide
SMILESCc1nn(-c2cccc(C#CC(O)CCN(C)C=O)c2)c2ccncc12
InChIInChI=1S/C20H20N4O2/c1-15-19-13-21-10-8-20(19)24(22-15)17-5-3-4-16(12-17)6-7-18(26)9-11-23(2)14-25/h3-5,8,10,12-14,18,26H,9,11H2,1-2H3
InChIKeyVDOYGGZXCANVRJ-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.92
Rot. Bonds5

About N-[3-hydroxy-5-[3-(3-methylpyrazolo[4,5-c]pyridin-1-yl)phenyl]pent-4-ynyl]-N-methylformamide

N-[3-hydroxy-5-[3-(3-methylpyrazolo[4,5-c]pyridin-1-yl)phenyl]pent-4-ynyl]-N-methylformamide (PubChem CID 144793240) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[3-hydroxy-5-[3-(3-methylpyrazolo[4,5-c]pyridin-1-yl)phenyl]pent-4-ynyl]-N-methylformamide.

Molecular Properties

Compound NameN-[3-hydroxy-5-[3-(3-methylpyrazolo[4,5-c]pyridin-1-yl)phenyl]pent-4-ynyl]-N-methylformamide
PubChem CID144793240
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[3-hydroxy-5-[3-(3-methylpyrazolo[4,5-c]pyridin-1-yl)phenyl]pent-4-ynyl]-N-methylformamide
SMILESCc1nn(-c2cccc(C#CC(O)CCN(C)C=O)c2)c2ccncc12
InChIInChI=1S/C20H20N4O2/c1-15-19-13-21-10-8-20(19)24(22-15)17-5-3-4-16(12-17)6-7-18(26)9-11-23(2)14-25/h3-5,8,10,12-14,18,26H,9,11H2,1-2H3
InChIKeyVDOYGGZXCANVRJ-UHFFFAOYSA-N
XLogP1.92
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-[3-[5-[formyl(methyl)amino]-3-hydroxypent-1-ynyl]phenyl]-6-methoxyindazole-3-carboxylate
CID 144793427
(4R)-1-[3-[(3R)-5-[formyl(methyl)amino]-3-hydroxypent-1-ynyl]phenyl]-4-hydroxy-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 144793153
3-chloro-5-[3-[(3R)-5-[formyl(methyl)amino]-3-hydroxypent-1-ynyl]phenyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
CID 144793652
4-(3-methylpyrazolo[4,5-c]pyridin-1-yl)benzoic acid
CID 117275136
1-[3-[5-[formyl(methyl)amino]-3-hydroxypent-1-ynyl]phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide
CID 144794013
6-fluoro-1-[3-[6-[formyl(methyl)amino]-3-hydroxy-3-methylhex-1-ynyl]phenyl]indazole-3-carboxamide
CID 123217711
(3R)-3-[2-[3-[3-(2-aminoacetyl)pyrazolo[4,3-c]pyridin-1-yl]phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 129159828
1-[3-[4-[ethyl(methyl)amino]-3-hydroxy-4-oxobut-1-ynyl]phenyl]-5-(hydroxymethyl)indazole-3-carboxamide
CID 144792839
1-[3-[(3R)-5-(dimethylamino)-3-formyl-3-hydroxypent-1-ynyl]phenyl]-5-[(1S)-1-hydroxyethyl]indazole-3-carboxamide
CID 126724950
(4S)-1-[3-[2-[(2R)-2-[2-[formyl(methyl)amino]ethyl]oxiran-2-yl]ethynyl]phenyl]-4-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide
CID 144793308
(3-methylphenyl)-(3-methylpyrazolo[4,5-c]pyridin-1-yl)methanone
CID 162671475
1-(6-chloropyrimidin-4-yl)-3-methylpyrazolo[4,5-c]pyridine
CID 134439991

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-5-[3-(3-methylpyrazolo[4,5-c]pyridin-1-yl)phenyl]pent-4-ynyl]-N-methylformamide?
The IUPAC name of N-[3-hydroxy-5-[3-(3-methylpyrazolo[4,5-c]pyridin-1-yl)phenyl]pent-4-ynyl]-N-methylformamide (CID 144793240) is N-[3-hydroxy-5-[3-(3-methylpyrazolo[4,5-c]pyridin-1-yl)phenyl]pent-4-ynyl]-N-methylformamide.
What is the SMILES notation for N-[3-hydroxy-5-[3-(3-methylpyrazolo[4,5-c]pyridin-1-yl)phenyl]pent-4-ynyl]-N-methylformamide?
The canonical SMILES for N-[3-hydroxy-5-[3-(3-methylpyrazolo[4,5-c]pyridin-1-yl)phenyl]pent-4-ynyl]-N-methylformamide is Cc1nn(-c2cccc(C#CC(O)CCN(C)C=O)c2)c2ccncc12.
What is the InChIKey of N-[3-hydroxy-5-[3-(3-methylpyrazolo[4,5-c]pyridin-1-yl)phenyl]pent-4-ynyl]-N-methylformamide?
The InChIKey is VDOYGGZXCANVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-15-19-13-21-10-8-20(19)24(22-15)17-5-3-4-16(12-17)6-7-18(26)9-11-23(2)14-25/h3-5,8,10,12-14,18,26H,9,11H2,1-2H3.
What are the key properties of N-[3-hydroxy-5-[3-(3-methylpyrazolo[4,5-c]pyridin-1-yl)phenyl]pent-4-ynyl]-N-methylformamide?
N-[3-hydroxy-5-[3-(3-methylpyrazolo[4,5-c]pyridin-1-yl)phenyl]pent-4-ynyl]-N-methylformamide has a molecular weight of 348.41 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-5-[3-(3-methylpyrazolo[4,5-c]pyridin-1-yl)phenyl]pent-4-ynyl]-N-methylformamide is sourced from PubChem (CID 144793240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).