[(1S,2R,3S)-2-fluoro-3-[3-[[2-[[2-(methoxymethyl)azetidin-1-yl]methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

C24H33FN8O3 — CID 169142659

IUPAC[(1S,2R,3S)-2-fluoro-3-[3-[[2-[[2-(methoxymethyl)azetidin-1-yl]methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
SMILESCOCC1CCN1Cc1cn2c(Nc3cc([C@@H]4CC[C@H](OC(=O)NC(C)C)[C@@H]4F)[nH]n3)nccc2n1
InChIInChI=1S/C24H33FN8O3/c1-14(2)27-24(34)36-19-5-4-17(22(19)25)18-10-20(31-30-18)29-23-26-8-6-21-28-15(12-33(21)23)11-32-9-7-16(32)13-35-3/h6,8,10,12,14,16-17,19,22H,4-5,7,9,11,13H2,1-3H3,(H,27,34)(H2,26,29,30,31)/t16?,17-,19-,22+/m0/s1
InChIKeyIAVDJAMQOSLSML-KLRHOTIUSA-N
MW500.58 g/mol
LogP3.14
Rot. Bonds9

About [(1S,2R,3S)-2-fluoro-3-[3-[[2-[[2-(methoxymethyl)azetidin-1-yl]methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

[(1S,2R,3S)-2-fluoro-3-[3-[[2-[[2-(methoxymethyl)azetidin-1-yl]methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (PubChem CID 169142659) has the molecular formula C24H33FN8O3 and a molecular weight of 500.58 g/mol. Its IUPAC name is [(1S,2R,3S)-2-fluoro-3-[3-[[2-[[2-(methoxymethyl)azetidin-1-yl]methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[(1S,2R,3S)-2-fluoro-3-[3-[[2-[[2-(methoxymethyl)azetidin-1-yl]methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
PubChem CID169142659
Molecular FormulaC24H33FN8O3
Molecular Weight500.58 g/mol
Exact Mass500.27
IUPAC Name[(1S,2R,3S)-2-fluoro-3-[3-[[2-[[2-(methoxymethyl)azetidin-1-yl]methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
SMILESCOCC1CCN1Cc1cn2c(Nc3cc([C@@H]4CC[C@H](OC(=O)NC(C)C)[C@@H]4F)[nH]n3)nccc2n1
InChIInChI=1S/C24H33FN8O3/c1-14(2)27-24(34)36-19-5-4-17(22(19)25)18-10-20(31-30-18)29-23-26-8-6-21-28-15(12-33(21)23)11-32-9-7-16(32)13-35-3/h6,8,10,12,14,16-17,19,22H,4-5,7,9,11,13H2,1-3H3,(H,27,34)(H2,26,29,30,31)/t16?,17-,19-,22+/m0/s1
InChIKeyIAVDJAMQOSLSML-KLRHOTIUSA-N
XLogP3.14
TPSA121.70 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.58
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [(1S,2R,3S)-2-fluoro-3-[3-[[2-[[2-(methoxymethyl)azetidin-1-yl]methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R,3S)-2-fluoro-3-[3-[[2-[[2-(methoxymethyl)azetidin-1-yl]methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The IUPAC name of [(1S,2R,3S)-2-fluoro-3-[3-[[2-[[2-(methoxymethyl)azetidin-1-yl]methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (CID 169142659) is [(1S,2R,3S)-2-fluoro-3-[3-[[2-[[2-(methoxymethyl)azetidin-1-yl]methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.
What is the SMILES notation for [(1S,2R,3S)-2-fluoro-3-[3-[[2-[[2-(methoxymethyl)azetidin-1-yl]methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The canonical SMILES for [(1S,2R,3S)-2-fluoro-3-[3-[[2-[[2-(methoxymethyl)azetidin-1-yl]methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is COCC1CCN1Cc1cn2c(Nc3cc([C@@H]4CC[C@H](OC(=O)NC(C)C)[C@@H]4F)[nH]n3)nccc2n1.
What is the InChIKey of [(1S,2R,3S)-2-fluoro-3-[3-[[2-[[2-(methoxymethyl)azetidin-1-yl]methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The InChIKey is IAVDJAMQOSLSML-KLRHOTIUSA-N. The full InChI is InChI=1S/C24H33FN8O3/c1-14(2)27-24(34)36-19-5-4-17(22(19)25)18-10-20(31-30-18)29-23-26-8-6-21-28-15(12-33(21)23)11-32-9-7-16(32)13-35-3/h6,8,10,12,14,16-17,19,22H,4-5,7,9,11,13H2,1-3H3,(H,27,34)(H2,26,29,30,31)/t16?,17-,19-,22+/m0/s1.
What are the key properties of [(1S,2R,3S)-2-fluoro-3-[3-[[2-[[2-(methoxymethyl)azetidin-1-yl]methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
[(1S,2R,3S)-2-fluoro-3-[3-[[2-[[2-(methoxymethyl)azetidin-1-yl]methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate has a molecular weight of 500.58 g/mol, XLogP of 3.14, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,3S)-2-fluoro-3-[3-[[2-[[2-(methoxymethyl)azetidin-1-yl]methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 169142659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).