[(1R,2S,3R)-3-[3-[(2-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

C23H26FN7O2 — CID 169143340

IUPAC[(1R,2S,3R)-3-[3-[(2-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
SMILESO=C(NC12CC(C1)C2)O[C@@H]1CC[C@H](c2cc(Nc3nccc4nc(C5CC5)cn34)n[nH]2)[C@@H]1F
InChIInChI=1S/C23H26FN7O2/c24-20-14(3-4-17(20)33-22(32)28-23-8-12(9-23)10-23)15-7-18(30-29-15)27-21-25-6-5-19-26-16(11-31(19)21)13-1-2-13/h5-7,11-14,17,20H,1-4,8-10H2,(H,28,32)(H2,25,27,29,30)/t12?,14-,17-,20+,23?/m1/s1
InChIKeyKMTABFJGKRETPD-LXAMVYFGSA-N
MW451.51 g/mol
LogP3.94
Rot. Bonds6

About [(1R,2S,3R)-3-[3-[(2-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

[(1R,2S,3R)-3-[3-[(2-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (PubChem CID 169143340) has the molecular formula C23H26FN7O2 and a molecular weight of 451.51 g/mol. Its IUPAC name is [(1R,2S,3R)-3-[3-[(2-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate.

Molecular Properties

Compound Name[(1R,2S,3R)-3-[3-[(2-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
PubChem CID169143340
Molecular FormulaC23H26FN7O2
Molecular Weight451.51 g/mol
Exact Mass451.21
IUPAC Name[(1R,2S,3R)-3-[3-[(2-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
SMILESO=C(NC12CC(C1)C2)O[C@@H]1CC[C@H](c2cc(Nc3nccc4nc(C5CC5)cn34)n[nH]2)[C@@H]1F
InChIInChI=1S/C23H26FN7O2/c24-20-14(3-4-17(20)33-22(32)28-23-8-12(9-23)10-23)15-7-18(30-29-15)27-21-25-6-5-19-26-16(11-31(19)21)13-1-2-13/h5-7,11-14,17,20H,1-4,8-10H2,(H,28,32)(H2,25,27,29,30)/t12?,14-,17-,20+,23?/m1/s1
InChIKeyKMTABFJGKRETPD-LXAMVYFGSA-N
XLogP3.94
TPSA109.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.51
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [(1R,2S,3R)-3-[3-[(2-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S,3R)-3-[3-[(2-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?
The IUPAC name of [(1R,2S,3R)-3-[3-[(2-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (CID 169143340) is [(1R,2S,3R)-3-[3-[(2-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate.
What is the SMILES notation for [(1R,2S,3R)-3-[3-[(2-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?
The canonical SMILES for [(1R,2S,3R)-3-[3-[(2-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is O=C(NC12CC(C1)C2)O[C@@H]1CC[C@H](c2cc(Nc3nccc4nc(C5CC5)cn34)n[nH]2)[C@@H]1F.
What is the InChIKey of [(1R,2S,3R)-3-[3-[(2-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?
The InChIKey is KMTABFJGKRETPD-LXAMVYFGSA-N. The full InChI is InChI=1S/C23H26FN7O2/c24-20-14(3-4-17(20)33-22(32)28-23-8-12(9-23)10-23)15-7-18(30-29-15)27-21-25-6-5-19-26-16(11-31(19)21)13-1-2-13/h5-7,11-14,17,20H,1-4,8-10H2,(H,28,32)(H2,25,27,29,30)/t12?,14-,17-,20+,23?/m1/s1.
What are the key properties of [(1R,2S,3R)-3-[3-[(2-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?
[(1R,2S,3R)-3-[3-[(2-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate has a molecular weight of 451.51 g/mol, XLogP of 3.94, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,3R)-3-[3-[(2-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is sourced from PubChem (CID 169143340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).