[3-[3-[(5-formyl-6-hydroxyisoquinolin-1-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

C23H25N5O4 — CID 176998153

IUPAC[3-[3-[(5-formyl-6-hydroxyisoquinolin-1-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCC1(NC(=O)OC2CCC(c3cc(Nc4nccc5c(C=O)c(O)ccc45)n[nH]3)C2)CC1
InChIInChI=1S/C23H25N5O4/c1-23(7-8-23)26-22(31)32-14-3-2-13(10-14)18-11-20(28-27-18)25-21-16-4-5-19(30)17(12-29)15(16)6-9-24-21/h4-6,9,11-14,30H,2-3,7-8,10H2,1H3,(H,26,31)(H2,24,25,27,28)
InChIKeyFQRWYVSRAPUJCY-UHFFFAOYSA-N
MW435.48 g/mol
LogP4.13
Rot. Bonds6

About [3-[3-[(5-formyl-6-hydroxyisoquinolin-1-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

[3-[3-[(5-formyl-6-hydroxyisoquinolin-1-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (PubChem CID 176998153) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is [3-[3-[(5-formyl-6-hydroxyisoquinolin-1-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[3-[3-[(5-formyl-6-hydroxyisoquinolin-1-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
PubChem CID176998153
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name[3-[3-[(5-formyl-6-hydroxyisoquinolin-1-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCC1(NC(=O)OC2CCC(c3cc(Nc4nccc5c(C=O)c(O)ccc45)n[nH]3)C2)CC1
InChIInChI=1S/C23H25N5O4/c1-23(7-8-23)26-22(31)32-14-3-2-13(10-14)18-11-20(28-27-18)25-21-16-4-5-19(30)17(12-29)15(16)6-9-24-21/h4-6,9,11-14,30H,2-3,7-8,10H2,1H3,(H,26,31)(H2,24,25,27,28)
InChIKeyFQRWYVSRAPUJCY-UHFFFAOYSA-N
XLogP4.13
TPSA129.23 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[3-[3-[[2-(2-formyl-3-hydroxy-5-methoxyphenoxy)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 176998441
[3-[3-[[2-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 167293693
[3-[3-[[2-[3-hydroxy-2-(propan-2-yliminomethyl)phenoxy]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 176998693
[(1R,3S)-3-[3-[[3-(methylamino)-1,2,4-triazin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 168895214
[(1R,3S)-3-[3-[(2-ethoxypyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 167293954
[(1R,3S)-3-[3-[[(1S,2S)-2-acetylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate
CID 170073903
[(1R,3S)-3-[3-[[2-(1-aminoethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 167293760
[(1R,3S)-3-[3-[[2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 167293718
[(1R,3S)-3-[3-[[2-(3-chloro-4-methyl-2-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 154616585
[(1R,3S)-3-[3-[(3-methoxy-1,2,4-triazin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 168895247
[(1R,3S)-3-[3-[[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 154616670
[(1R,3S)-3-[3-[[2-[(dimethylamino)methyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 167294495

Frequently Asked Questions

What is the IUPAC name of [3-[3-[(5-formyl-6-hydroxyisoquinolin-1-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [3-[3-[(5-formyl-6-hydroxyisoquinolin-1-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (CID 176998153) is [3-[3-[(5-formyl-6-hydroxyisoquinolin-1-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [3-[3-[(5-formyl-6-hydroxyisoquinolin-1-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [3-[3-[(5-formyl-6-hydroxyisoquinolin-1-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is CC1(NC(=O)OC2CCC(c3cc(Nc4nccc5c(C=O)c(O)ccc45)n[nH]3)C2)CC1.
What is the InChIKey of [3-[3-[(5-formyl-6-hydroxyisoquinolin-1-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is FQRWYVSRAPUJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-23(7-8-23)26-22(31)32-14-3-2-13(10-14)18-11-20(28-27-18)25-21-16-4-5-19(30)17(12-29)15(16)6-9-24-21/h4-6,9,11-14,30H,2-3,7-8,10H2,1H3,(H,26,31)(H2,24,25,27,28).
What are the key properties of [3-[3-[(5-formyl-6-hydroxyisoquinolin-1-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
[3-[3-[(5-formyl-6-hydroxyisoquinolin-1-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 435.48 g/mol, XLogP of 4.13, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[(5-formyl-6-hydroxyisoquinolin-1-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 176998153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).