[3-[3-[[3-(methoxymethyl)-1-methylindazol-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

C23H30N6O3 — CID 167293664

IUPAC[3-[3-[[3-(methoxymethyl)-1-methylindazol-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCOCc1nn(C)c2c(Nc3cc(C4CCC(OC(=O)NC5(C)CC5)C4)[nH]n3)cccc12
InChIInChI=1S/C23H30N6O3/c1-23(9-10-23)25-22(30)32-15-8-7-14(11-15)18-12-20(27-26-18)24-17-6-4-5-16-19(13-31-3)28-29(2)21(16)17/h4-6,12,14-15H,7-11,13H2,1-3H3,(H,25,30)(H2,24,26,27)
InChIKeyPRMBXAPEQOMSTB-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.10
Rot. Bonds7

About [3-[3-[[3-(methoxymethyl)-1-methylindazol-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

[3-[3-[[3-(methoxymethyl)-1-methylindazol-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (PubChem CID 167293664) has the molecular formula C23H30N6O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is [3-[3-[[3-(methoxymethyl)-1-methylindazol-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[3-[3-[[3-(methoxymethyl)-1-methylindazol-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
PubChem CID167293664
Molecular FormulaC23H30N6O3
Molecular Weight438.53 g/mol
Exact Mass438.24
IUPAC Name[3-[3-[[3-(methoxymethyl)-1-methylindazol-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCOCc1nn(C)c2c(Nc3cc(C4CCC(OC(=O)NC5(C)CC5)C4)[nH]n3)cccc12
InChIInChI=1S/C23H30N6O3/c1-23(9-10-23)25-22(30)32-15-8-7-14(11-15)18-12-20(27-26-18)24-17-6-4-5-16-19(13-31-3)28-29(2)21(16)17/h4-6,12,14-15H,7-11,13H2,1-3H3,(H,25,30)(H2,24,26,27)
InChIKeyPRMBXAPEQOMSTB-UHFFFAOYSA-N
XLogP4.10
TPSA106.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[(1R,3S)-3-[3-[[1-methyl-3-(oxolan-3-ylmethoxy)pyrazolo[4,3-b]pyridin-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 167293751
[3-[3-[[2-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 167293693
[(1R,3S)-3-[3-[[2-(6-methyl-2-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 154616882
[(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-[[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-(phenylmethoxycarbonylamino)-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate
CID 154616677
[(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-(5-methoxy-2-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 154616684
[(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
[(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-(3-chloro-4-methyl-2-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 154616585
[(1R,3S)-3-[3-[[3-(methylamino)-1,2,4-triazin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 168895214

Frequently Asked Questions

What is the IUPAC name of [3-[3-[[3-(methoxymethyl)-1-methylindazol-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [3-[3-[[3-(methoxymethyl)-1-methylindazol-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (CID 167293664) is [3-[3-[[3-(methoxymethyl)-1-methylindazol-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [3-[3-[[3-(methoxymethyl)-1-methylindazol-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [3-[3-[[3-(methoxymethyl)-1-methylindazol-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is COCc1nn(C)c2c(Nc3cc(C4CCC(OC(=O)NC5(C)CC5)C4)[nH]n3)cccc12.
What is the InChIKey of [3-[3-[[3-(methoxymethyl)-1-methylindazol-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is PRMBXAPEQOMSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O3/c1-23(9-10-23)25-22(30)32-15-8-7-14(11-15)18-12-20(27-26-18)24-17-6-4-5-16-19(13-31-3)28-29(2)21(16)17/h4-6,12,14-15H,7-11,13H2,1-3H3,(H,25,30)(H2,24,26,27).
What are the key properties of [3-[3-[[3-(methoxymethyl)-1-methylindazol-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
[3-[3-[[3-(methoxymethyl)-1-methylindazol-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 438.53 g/mol, XLogP of 4.10, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[[3-(methoxymethyl)-1-methylindazol-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 167293664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).