[3-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(5-oxaspiro[3.4]octan-7-yl)carbamate

C23H32N6O5 — CID 170073133

IUPAC[3-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(5-oxaspiro[3.4]octan-7-yl)carbamate
SMILESCOCc1cc(C(=O)Nc2cc(C3CCC(OC(=O)NC4COC5(CCC5)C4)C3)[nH]n2)n(C)n1
InChIInChI=1S/C23H32N6O5/c1-29-19(9-15(28-29)12-32-2)21(30)25-20-10-18(26-27-20)14-4-5-17(8-14)34-22(31)24-16-11-23(33-13-16)6-3-7-23/h9-10,14,16-17H,3-8,11-13H2,1-2H3,(H,24,31)(H2,25,26,27,30)
InChIKeyWKMQMDSEFKQQAY-UHFFFAOYSA-N
MW472.55 g/mol
LogP2.62
Rot. Bonds7

About [3-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(5-oxaspiro[3.4]octan-7-yl)carbamate

[3-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(5-oxaspiro[3.4]octan-7-yl)carbamate (PubChem CID 170073133) has the molecular formula C23H32N6O5 and a molecular weight of 472.55 g/mol. Its IUPAC name is [3-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(5-oxaspiro[3.4]octan-7-yl)carbamate.

Molecular Properties

Compound Name[3-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(5-oxaspiro[3.4]octan-7-yl)carbamate
PubChem CID170073133
Molecular FormulaC23H32N6O5
Molecular Weight472.55 g/mol
Exact Mass472.24
IUPAC Name[3-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(5-oxaspiro[3.4]octan-7-yl)carbamate
SMILESCOCc1cc(C(=O)Nc2cc(C3CCC(OC(=O)NC4COC5(CCC5)C4)C3)[nH]n2)n(C)n1
InChIInChI=1S/C23H32N6O5/c1-29-19(9-15(28-29)12-32-2)21(30)25-20-10-18(26-27-20)14-4-5-17(8-14)34-22(31)24-16-11-23(33-13-16)6-3-7-23/h9-10,14,16-17H,3-8,11-13H2,1-2H3,(H,24,31)(H2,25,26,27,30)
InChIKeyWKMQMDSEFKQQAY-UHFFFAOYSA-N
XLogP2.62
TPSA132.39 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [3-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(5-oxaspiro[3.4]octan-7-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(5-oxaspiro[3.4]octan-7-yl)carbamate?
The IUPAC name of [3-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(5-oxaspiro[3.4]octan-7-yl)carbamate (CID 170073133) is [3-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(5-oxaspiro[3.4]octan-7-yl)carbamate.
What is the SMILES notation for [3-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(5-oxaspiro[3.4]octan-7-yl)carbamate?
The canonical SMILES for [3-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(5-oxaspiro[3.4]octan-7-yl)carbamate is COCc1cc(C(=O)Nc2cc(C3CCC(OC(=O)NC4COC5(CCC5)C4)C3)[nH]n2)n(C)n1.
What is the InChIKey of [3-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(5-oxaspiro[3.4]octan-7-yl)carbamate?
The InChIKey is WKMQMDSEFKQQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O5/c1-29-19(9-15(28-29)12-32-2)21(30)25-20-10-18(26-27-20)14-4-5-17(8-14)34-22(31)24-16-11-23(33-13-16)6-3-7-23/h9-10,14,16-17H,3-8,11-13H2,1-2H3,(H,24,31)(H2,25,26,27,30).
What are the key properties of [3-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(5-oxaspiro[3.4]octan-7-yl)carbamate?
[3-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(5-oxaspiro[3.4]octan-7-yl)carbamate has a molecular weight of 472.55 g/mol, XLogP of 2.62, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(5-oxaspiro[3.4]octan-7-yl)carbamate is sourced from PubChem (CID 170073133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).