[(1R,3S)-3-[3-[[2-(difluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

C20H23F2N7O2 — CID 167293700

IUPAC[(1R,3S)-3-[3-[[2-(difluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCC1(NC(=O)O[C@@H]2CC[C@H](c3cc(Nc4nccn5nc(C(F)F)cc45)n[nH]3)C2)CC1
InChIInChI=1S/C20H23F2N7O2/c1-20(4-5-20)25-19(30)31-12-3-2-11(8-12)13-10-16(27-26-13)24-18-15-9-14(17(21)22)28-29(15)7-6-23-18/h6-7,9-12,17H,2-5,8H2,1H3,(H,25,30)(H2,23,24,26,27)/t11-,12+/m0/s1
InChIKeyANHFKRVCTZKWGJ-NWDGAFQWSA-N
MW431.45 g/mol
LogP4.05
Rot. Bonds6

About [(1R,3S)-3-[3-[[2-(difluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

[(1R,3S)-3-[3-[[2-(difluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (PubChem CID 167293700) has the molecular formula C20H23F2N7O2 and a molecular weight of 431.45 g/mol. Its IUPAC name is [(1R,3S)-3-[3-[[2-(difluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[(1R,3S)-3-[3-[[2-(difluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
PubChem CID167293700
Molecular FormulaC20H23F2N7O2
Molecular Weight431.45 g/mol
Exact Mass431.19
IUPAC Name[(1R,3S)-3-[3-[[2-(difluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCC1(NC(=O)O[C@@H]2CC[C@H](c3cc(Nc4nccn5nc(C(F)F)cc45)n[nH]3)C2)CC1
InChIInChI=1S/C20H23F2N7O2/c1-20(4-5-20)25-19(30)31-12-3-2-11(8-12)13-10-16(27-26-13)24-18-15-9-14(17(21)22)28-29(15)7-6-23-18/h6-7,9-12,17H,2-5,8H2,1H3,(H,25,30)(H2,23,24,26,27)/t11-,12+/m0/s1
InChIKeyANHFKRVCTZKWGJ-NWDGAFQWSA-N
XLogP4.05
TPSA109.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [(1R,3S)-3-[3-[[2-(difluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[3-[[2-(difluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [(1R,3S)-3-[3-[[2-(difluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (CID 167293700) is [(1R,3S)-3-[3-[[2-(difluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [(1R,3S)-3-[3-[[2-(difluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [(1R,3S)-3-[3-[[2-(difluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is CC1(NC(=O)O[C@@H]2CC[C@H](c3cc(Nc4nccn5nc(C(F)F)cc45)n[nH]3)C2)CC1.
What is the InChIKey of [(1R,3S)-3-[3-[[2-(difluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is ANHFKRVCTZKWGJ-NWDGAFQWSA-N. The full InChI is InChI=1S/C20H23F2N7O2/c1-20(4-5-20)25-19(30)31-12-3-2-11(8-12)13-10-16(27-26-13)24-18-15-9-14(17(21)22)28-29(15)7-6-23-18/h6-7,9-12,17H,2-5,8H2,1H3,(H,25,30)(H2,23,24,26,27)/t11-,12+/m0/s1.
What are the key properties of [(1R,3S)-3-[3-[[2-(difluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
[(1R,3S)-3-[3-[[2-(difluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 431.45 g/mol, XLogP of 4.05, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[3-[[2-(difluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 167293700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).