[(1S,2R,4R)-2-fluoro-4-[3-[(6-piperidin-4-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

C24H31FN8O2 — CID 170120363

IUPAC[(1S,2R,4R)-2-fluoro-4-[3-[(6-piperidin-4-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCC1(NC(=O)O[C@H]2C[C@@H](c3cc(Nc4nc(C5CCNCC5)cn5nccc45)n[nH]3)C[C@H]2F)CC1
InChIInChI=1S/C24H31FN8O2/c1-24(5-6-24)30-23(34)35-20-11-15(10-16(20)25)17-12-21(32-31-17)29-22-19-4-9-27-33(19)13-18(28-22)14-2-7-26-8-3-14/h4,9,12-16,20,26H,2-3,5-8,10-11H2,1H3,(H,30,34)(H2,28,29,31,32)/t15-,16+,20-/m0/s1
InChIKeyDKDJYZJUOCZOAD-YRNRMSPPSA-N
MW482.56 g/mol
LogP3.53
Rot. Bonds6

About [(1S,2R,4R)-2-fluoro-4-[3-[(6-piperidin-4-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

[(1S,2R,4R)-2-fluoro-4-[3-[(6-piperidin-4-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (PubChem CID 170120363) has the molecular formula C24H31FN8O2 and a molecular weight of 482.56 g/mol. Its IUPAC name is [(1S,2R,4R)-2-fluoro-4-[3-[(6-piperidin-4-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[(1S,2R,4R)-2-fluoro-4-[3-[(6-piperidin-4-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
PubChem CID170120363
Molecular FormulaC24H31FN8O2
Molecular Weight482.56 g/mol
Exact Mass482.26
IUPAC Name[(1S,2R,4R)-2-fluoro-4-[3-[(6-piperidin-4-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCC1(NC(=O)O[C@H]2C[C@@H](c3cc(Nc4nc(C5CCNCC5)cn5nccc45)n[nH]3)C[C@H]2F)CC1
InChIInChI=1S/C24H31FN8O2/c1-24(5-6-24)30-23(34)35-20-11-15(10-16(20)25)17-12-21(32-31-17)29-22-19-4-9-27-33(19)13-18(28-22)14-2-7-26-8-3-14/h4,9,12-16,20,26H,2-3,5-8,10-11H2,1H3,(H,30,34)(H2,28,29,31,32)/t15-,16+,20-/m0/s1
InChIKeyDKDJYZJUOCZOAD-YRNRMSPPSA-N
XLogP3.53
TPSA121.26 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 53.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze [(1S,2R,4R)-2-fluoro-4-[3-[(6-piperidin-4-ylpyrazolo[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 [(1S,2R,4R)-2-fluoro-4-[3-[(6-piperidin-4-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [(1S,2R,4R)-2-fluoro-4-[3-[(6-piperidin-4-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (CID 170120363) is [(1S,2R,4R)-2-fluoro-4-[3-[(6-piperidin-4-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [(1S,2R,4R)-2-fluoro-4-[3-[(6-piperidin-4-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [(1S,2R,4R)-2-fluoro-4-[3-[(6-piperidin-4-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is CC1(NC(=O)O[C@H]2C[C@@H](c3cc(Nc4nc(C5CCNCC5)cn5nccc45)n[nH]3)C[C@H]2F)CC1.
What is the InChIKey of [(1S,2R,4R)-2-fluoro-4-[3-[(6-piperidin-4-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is DKDJYZJUOCZOAD-YRNRMSPPSA-N. The full InChI is InChI=1S/C24H31FN8O2/c1-24(5-6-24)30-23(34)35-20-11-15(10-16(20)25)17-12-21(32-31-17)29-22-19-4-9-27-33(19)13-18(28-22)14-2-7-26-8-3-14/h4,9,12-16,20,26H,2-3,5-8,10-11H2,1H3,(H,30,34)(H2,28,29,31,32)/t15-,16+,20-/m0/s1.
What are the key properties of [(1S,2R,4R)-2-fluoro-4-[3-[(6-piperidin-4-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
[(1S,2R,4R)-2-fluoro-4-[3-[(6-piperidin-4-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 482.56 g/mol, XLogP of 3.53, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,4R)-2-fluoro-4-[3-[(6-piperidin-4-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 170120363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).