[(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-8-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

C22H28FN7O3 — CID 169142182

IUPAC[(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-8-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCOCc1cn2c(Nc3cc([C@H]4CC[C@@H](OC(=O)NC5(C)CC5)[C@H]4F)[nH]n3)ncc(C)c2n1
InChIInChI=1S/C22H28FN7O3/c1-12-9-24-20(30-10-13(11-32-3)25-19(12)30)26-17-8-15(28-29-17)14-4-5-16(18(14)23)33-21(31)27-22(2)6-7-22/h8-10,14,16,18H,4-7,11H2,1-3H3,(H,27,31)(H2,24,26,28,29)/t14-,16-,18+/m1/s1
InChIKeyMLHZIGNTKKZGLU-KYJSFNMBSA-N
MW457.51 g/mol
LogP3.51
Rot. Bonds7

About [(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-8-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

[(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-8-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (PubChem CID 169142182) has the molecular formula C22H28FN7O3 and a molecular weight of 457.51 g/mol. Its IUPAC name is [(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-8-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-8-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
PubChem CID169142182
Molecular FormulaC22H28FN7O3
Molecular Weight457.51 g/mol
Exact Mass457.22
IUPAC Name[(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-8-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCOCc1cn2c(Nc3cc([C@H]4CC[C@@H](OC(=O)NC5(C)CC5)[C@H]4F)[nH]n3)ncc(C)c2n1
InChIInChI=1S/C22H28FN7O3/c1-12-9-24-20(30-10-13(11-32-3)25-19(12)30)26-17-8-15(28-29-17)14-4-5-16(18(14)23)33-21(31)27-22(2)6-7-22/h8-10,14,16,18H,4-7,11H2,1-3H3,(H,27,31)(H2,24,26,28,29)/t14-,16-,18+/m1/s1
InChIKeyMLHZIGNTKKZGLU-KYJSFNMBSA-N
XLogP3.51
TPSA118.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-8-methylimidazo[1,2-c]pyrimidin-5-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,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-8-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-8-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (CID 169142182) is [(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-8-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-8-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-8-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is COCc1cn2c(Nc3cc([C@H]4CC[C@@H](OC(=O)NC5(C)CC5)[C@H]4F)[nH]n3)ncc(C)c2n1.
What is the InChIKey of [(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-8-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is MLHZIGNTKKZGLU-KYJSFNMBSA-N. The full InChI is InChI=1S/C22H28FN7O3/c1-12-9-24-20(30-10-13(11-32-3)25-19(12)30)26-17-8-15(28-29-17)14-4-5-16(18(14)23)33-21(31)27-22(2)6-7-22/h8-10,14,16,18H,4-7,11H2,1-3H3,(H,27,31)(H2,24,26,28,29)/t14-,16-,18+/m1/s1.
What are the key properties of [(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-8-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
[(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-8-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 457.51 g/mol, XLogP of 3.51, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-8-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 169142182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).