[(1R,2R,3R)-3-[3-[[2-(azetidin-1-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate

C23H29FN8O2 — CID 169140795

IUPAC[(1R,2R,3R)-3-[3-[[2-(azetidin-1-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCC1(NC(=O)O[C@@H]2CC[C@H](c3cc(Nc4nccc5nc(CN6CCC6)cn45)n[nH]3)[C@H]2F)CC1
InChIInChI=1S/C23H29FN8O2/c1-23(6-7-23)28-22(33)34-17-4-3-15(20(17)24)16-11-18(30-29-16)27-21-25-8-5-19-26-14(13-32(19)21)12-31-9-2-10-31/h5,8,11,13,15,17,20H,2-4,6-7,9-10,12H2,1H3,(H,28,33)(H2,25,27,29,30)/t15-,17-,20-/m1/s1
InChIKeyOSWLXLUWDBJZRS-WRWLIDTKSA-N
MW468.54 g/mol
LogP3.26
Rot. Bonds7

About [(1R,2R,3R)-3-[3-[[2-(azetidin-1-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate

[(1R,2R,3R)-3-[3-[[2-(azetidin-1-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate (PubChem CID 169140795) has the molecular formula C23H29FN8O2 and a molecular weight of 468.54 g/mol. Its IUPAC name is [(1R,2R,3R)-3-[3-[[2-(azetidin-1-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[(1R,2R,3R)-3-[3-[[2-(azetidin-1-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate
PubChem CID169140795
Molecular FormulaC23H29FN8O2
Molecular Weight468.54 g/mol
Exact Mass468.24
IUPAC Name[(1R,2R,3R)-3-[3-[[2-(azetidin-1-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCC1(NC(=O)O[C@@H]2CC[C@H](c3cc(Nc4nccc5nc(CN6CCC6)cn45)n[nH]3)[C@H]2F)CC1
InChIInChI=1S/C23H29FN8O2/c1-23(6-7-23)28-22(33)34-17-4-3-15(20(17)24)16-11-18(30-29-16)27-21-25-8-5-19-26-14(13-32(19)21)12-31-9-2-10-31/h5,8,11,13,15,17,20H,2-4,6-7,9-10,12H2,1H3,(H,28,33)(H2,25,27,29,30)/t15-,17-,20-/m1/s1
InChIKeyOSWLXLUWDBJZRS-WRWLIDTKSA-N
XLogP3.26
TPSA112.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [(1R,2R,3R)-3-[3-[[2-(azetidin-1-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3R)-3-[3-[[2-(azetidin-1-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [(1R,2R,3R)-3-[3-[[2-(azetidin-1-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate (CID 169140795) is [(1R,2R,3R)-3-[3-[[2-(azetidin-1-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [(1R,2R,3R)-3-[3-[[2-(azetidin-1-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [(1R,2R,3R)-3-[3-[[2-(azetidin-1-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate is CC1(NC(=O)O[C@@H]2CC[C@H](c3cc(Nc4nccc5nc(CN6CCC6)cn45)n[nH]3)[C@H]2F)CC1.
What is the InChIKey of [(1R,2R,3R)-3-[3-[[2-(azetidin-1-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is OSWLXLUWDBJZRS-WRWLIDTKSA-N. The full InChI is InChI=1S/C23H29FN8O2/c1-23(6-7-23)28-22(33)34-17-4-3-15(20(17)24)16-11-18(30-29-16)27-21-25-8-5-19-26-14(13-32(19)21)12-31-9-2-10-31/h5,8,11,13,15,17,20H,2-4,6-7,9-10,12H2,1H3,(H,28,33)(H2,25,27,29,30)/t15-,17-,20-/m1/s1.
What are the key properties of [(1R,2R,3R)-3-[3-[[2-(azetidin-1-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate?
[(1R,2R,3R)-3-[3-[[2-(azetidin-1-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 468.54 g/mol, XLogP of 3.26, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3R)-3-[3-[[2-(azetidin-1-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 169140795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).