[(1R,2S,3R)-3-[3-[[8-(1,4-dimethylpyrazol-5-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate

C24H30FN9O2 — CID 169140893

IUPAC[(1R,2S,3R)-3-[3-[[8-(1,4-dimethylpyrazol-5-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate
SMILESCc1cnn(C)c1-c1c(C)nc(Nc2cc([C@H]3CC[C@@H](OC(=O)NC(C)C)[C@H]3F)[nH]n2)n2ccnc12
InChIInChI=1S/C24H30FN9O2/c1-12(2)28-24(35)36-17-7-6-15(20(17)25)16-10-18(32-31-16)30-23-29-14(4)19(22-26-8-9-34(22)23)21-13(3)11-27-33(21)5/h8-12,15,17,20H,6-7H2,1-5H3,(H,28,35)(H2,29,30,31,32)/t15-,17-,20+/m1/s1
InChIKeyHOZLAKKEZTUZPX-MDYRTPRTSA-N
MW495.56 g/mol
LogP3.93
Rot. Bonds6

About [(1R,2S,3R)-3-[3-[[8-(1,4-dimethylpyrazol-5-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate

[(1R,2S,3R)-3-[3-[[8-(1,4-dimethylpyrazol-5-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate (PubChem CID 169140893) has the molecular formula C24H30FN9O2 and a molecular weight of 495.56 g/mol. Its IUPAC name is [(1R,2S,3R)-3-[3-[[8-(1,4-dimethylpyrazol-5-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[(1R,2S,3R)-3-[3-[[8-(1,4-dimethylpyrazol-5-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate
PubChem CID169140893
Molecular FormulaC24H30FN9O2
Molecular Weight495.56 g/mol
Exact Mass495.25
IUPAC Name[(1R,2S,3R)-3-[3-[[8-(1,4-dimethylpyrazol-5-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate
SMILESCc1cnn(C)c1-c1c(C)nc(Nc2cc([C@H]3CC[C@@H](OC(=O)NC(C)C)[C@H]3F)[nH]n2)n2ccnc12
InChIInChI=1S/C24H30FN9O2/c1-12(2)28-24(35)36-17-7-6-15(20(17)25)16-10-18(32-31-16)30-23-29-14(4)19(22-26-8-9-34(22)23)21-13(3)11-27-33(21)5/h8-12,15,17,20H,6-7H2,1-5H3,(H,28,35)(H2,29,30,31,32)/t15-,17-,20+/m1/s1
InChIKeyHOZLAKKEZTUZPX-MDYRTPRTSA-N
XLogP3.93
TPSA127.05 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.56
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [(1R,2S,3R)-3-[3-[[8-(1,4-dimethylpyrazol-5-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S,3R)-3-[3-[[8-(1,4-dimethylpyrazol-5-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate?
The IUPAC name of [(1R,2S,3R)-3-[3-[[8-(1,4-dimethylpyrazol-5-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate (CID 169140893) is [(1R,2S,3R)-3-[3-[[8-(1,4-dimethylpyrazol-5-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate.
What is the SMILES notation for [(1R,2S,3R)-3-[3-[[8-(1,4-dimethylpyrazol-5-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate?
The canonical SMILES for [(1R,2S,3R)-3-[3-[[8-(1,4-dimethylpyrazol-5-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate is Cc1cnn(C)c1-c1c(C)nc(Nc2cc([C@H]3CC[C@@H](OC(=O)NC(C)C)[C@H]3F)[nH]n2)n2ccnc12.
What is the InChIKey of [(1R,2S,3R)-3-[3-[[8-(1,4-dimethylpyrazol-5-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate?
The InChIKey is HOZLAKKEZTUZPX-MDYRTPRTSA-N. The full InChI is InChI=1S/C24H30FN9O2/c1-12(2)28-24(35)36-17-7-6-15(20(17)25)16-10-18(32-31-16)30-23-29-14(4)19(22-26-8-9-34(22)23)21-13(3)11-27-33(21)5/h8-12,15,17,20H,6-7H2,1-5H3,(H,28,35)(H2,29,30,31,32)/t15-,17-,20+/m1/s1.
What are the key properties of [(1R,2S,3R)-3-[3-[[8-(1,4-dimethylpyrazol-5-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate?
[(1R,2S,3R)-3-[3-[[8-(1,4-dimethylpyrazol-5-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate has a molecular weight of 495.56 g/mol, XLogP of 3.93, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,3R)-3-[3-[[8-(1,4-dimethylpyrazol-5-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 169140893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).