[2-[[4-[(Z)-1-amino-2-(1H-pyrazol-4-ylmethylamino)ethenyl]phenyl]methyl]pyrrolidin-3-yl] N-(2-pyridin-4-ylethyl)carbamate

C25H31N7O2 — CID 176952254

IUPAC[2-[[4-[(Z)-1-amino-2-(1H-pyrazol-4-ylmethylamino)ethenyl]phenyl]methyl]pyrrolidin-3-yl] N-(2-pyridin-4-ylethyl)carbamate
SMILESN/C(=C\NCc1cn[nH]c1)c1ccc(CC2NCCC2OC(=O)NCCc2ccncc2)cc1
InChIInChI=1S/C25H31N7O2/c26-22(17-28-14-20-15-31-32-16-20)21-3-1-19(2-4-21)13-23-24(8-12-29-23)34-25(33)30-11-7-18-5-9-27-10-6-18/h1-6,9-10,15-17,23-24,28-29H,7-8,11-14,26H2,(H,30,33)(H,31,32)/b22-17-
InChIKeyUNVFZYMXPWZICY-XLNRJJMWSA-N
MW461.57 g/mol
LogP2.09
Rot. Bonds10

About [2-[[4-[(Z)-1-amino-2-(1H-pyrazol-4-ylmethylamino)ethenyl]phenyl]methyl]pyrrolidin-3-yl] N-(2-pyridin-4-ylethyl)carbamate

[2-[[4-[(Z)-1-amino-2-(1H-pyrazol-4-ylmethylamino)ethenyl]phenyl]methyl]pyrrolidin-3-yl] N-(2-pyridin-4-ylethyl)carbamate (PubChem CID 176952254) has the molecular formula C25H31N7O2 and a molecular weight of 461.57 g/mol. Its IUPAC name is [2-[[4-[(Z)-1-amino-2-(1H-pyrazol-4-ylmethylamino)ethenyl]phenyl]methyl]pyrrolidin-3-yl] N-(2-pyridin-4-ylethyl)carbamate.

Molecular Properties

Compound Name[2-[[4-[(Z)-1-amino-2-(1H-pyrazol-4-ylmethylamino)ethenyl]phenyl]methyl]pyrrolidin-3-yl] N-(2-pyridin-4-ylethyl)carbamate
PubChem CID176952254
Molecular FormulaC25H31N7O2
Molecular Weight461.57 g/mol
Exact Mass461.25
IUPAC Name[2-[[4-[(Z)-1-amino-2-(1H-pyrazol-4-ylmethylamino)ethenyl]phenyl]methyl]pyrrolidin-3-yl] N-(2-pyridin-4-ylethyl)carbamate
SMILESN/C(=C\NCc1cn[nH]c1)c1ccc(CC2NCCC2OC(=O)NCCc2ccncc2)cc1
InChIInChI=1S/C25H31N7O2/c26-22(17-28-14-20-15-31-32-16-20)21-3-1-19(2-4-21)13-23-24(8-12-29-23)34-25(33)30-11-7-18-5-9-27-10-6-18/h1-6,9-10,15-17,23-24,28-29H,7-8,11-14,26H2,(H,30,33)(H,31,32)/b22-17-
InChIKeyUNVFZYMXPWZICY-XLNRJJMWSA-N
XLogP2.09
TPSA129.98 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 52.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze [2-[[4-[(Z)-1-amino-2-(1H-pyrazol-4-ylmethylamino)ethenyl]phenyl]methyl]pyrrolidin-3-yl] N-(2-pyridin-4-ylethyl)carbamate with MolForge

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Related Compounds

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CID 176953054
N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
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4-(aminomethyl)-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide;hydrochloride
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4-[(E)-3-oxo-3-(1H-pyrazol-4-ylmethylamino)prop-1-enyl]benzamide
CID 61000886
4-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 70990816
4-butyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60735788
[4-(2-pyridin-4-ylethylcarbamoyloxy)cyclohexyl]methyl pyrrolidine-1-carboxylate
CID 56953269
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CID 126809556
N-(1H-pyrazol-4-ylmethyl)piperidine-4-carboxamide
CID 61000741
cyclobutyl N-[2-(1H-indazol-5-yl)ethyl]carbamate
CID 126835076
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] pyridine-4-carboxylate
CID 7783610

Frequently Asked Questions

What is the IUPAC name of [2-[[4-[(Z)-1-amino-2-(1H-pyrazol-4-ylmethylamino)ethenyl]phenyl]methyl]pyrrolidin-3-yl] N-(2-pyridin-4-ylethyl)carbamate?
The IUPAC name of [2-[[4-[(Z)-1-amino-2-(1H-pyrazol-4-ylmethylamino)ethenyl]phenyl]methyl]pyrrolidin-3-yl] N-(2-pyridin-4-ylethyl)carbamate (CID 176952254) is [2-[[4-[(Z)-1-amino-2-(1H-pyrazol-4-ylmethylamino)ethenyl]phenyl]methyl]pyrrolidin-3-yl] N-(2-pyridin-4-ylethyl)carbamate.
What is the SMILES notation for [2-[[4-[(Z)-1-amino-2-(1H-pyrazol-4-ylmethylamino)ethenyl]phenyl]methyl]pyrrolidin-3-yl] N-(2-pyridin-4-ylethyl)carbamate?
The canonical SMILES for [2-[[4-[(Z)-1-amino-2-(1H-pyrazol-4-ylmethylamino)ethenyl]phenyl]methyl]pyrrolidin-3-yl] N-(2-pyridin-4-ylethyl)carbamate is N/C(=C\NCc1cn[nH]c1)c1ccc(CC2NCCC2OC(=O)NCCc2ccncc2)cc1.
What is the InChIKey of [2-[[4-[(Z)-1-amino-2-(1H-pyrazol-4-ylmethylamino)ethenyl]phenyl]methyl]pyrrolidin-3-yl] N-(2-pyridin-4-ylethyl)carbamate?
The InChIKey is UNVFZYMXPWZICY-XLNRJJMWSA-N. The full InChI is InChI=1S/C25H31N7O2/c26-22(17-28-14-20-15-31-32-16-20)21-3-1-19(2-4-21)13-23-24(8-12-29-23)34-25(33)30-11-7-18-5-9-27-10-6-18/h1-6,9-10,15-17,23-24,28-29H,7-8,11-14,26H2,(H,30,33)(H,31,32)/b22-17-.
What are the key properties of [2-[[4-[(Z)-1-amino-2-(1H-pyrazol-4-ylmethylamino)ethenyl]phenyl]methyl]pyrrolidin-3-yl] N-(2-pyridin-4-ylethyl)carbamate?
[2-[[4-[(Z)-1-amino-2-(1H-pyrazol-4-ylmethylamino)ethenyl]phenyl]methyl]pyrrolidin-3-yl] N-(2-pyridin-4-ylethyl)carbamate has a molecular weight of 461.57 g/mol, XLogP of 2.09, 10 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-[(Z)-1-amino-2-(1H-pyrazol-4-ylmethylamino)ethenyl]phenyl]methyl]pyrrolidin-3-yl] N-(2-pyridin-4-ylethyl)carbamate is sourced from PubChem (CID 176952254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).