[(1R,2R,3R)-2-fluoro-3-[3-[[2-[(3-fluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

C23H28F2N8O2 — CID 169142761

IUPAC[(1R,2R,3R)-2-fluoro-3-[3-[[2-[(3-fluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCC1(NC(=O)O[C@@H]2CC[C@H](c3cc(Nc4nccc5nc(CN6CC(F)C6)cn45)n[nH]3)[C@H]2F)CC1
InChIInChI=1S/C23H28F2N8O2/c1-23(5-6-23)29-22(34)35-17-3-2-15(20(17)25)16-8-18(31-30-16)28-21-26-7-4-19-27-14(12-33(19)21)11-32-9-13(24)10-32/h4,7-8,12-13,15,17,20H,2-3,5-6,9-11H2,1H3,(H,29,34)(H2,26,28,30,31)/t15-,17-,20-/m1/s1
InChIKeyUVDWSGMHWAIWNB-WRWLIDTKSA-N
MW486.53 g/mol
LogP3.21
Rot. Bonds7

About [(1R,2R,3R)-2-fluoro-3-[3-[[2-[(3-fluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

[(1R,2R,3R)-2-fluoro-3-[3-[[2-[(3-fluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (PubChem CID 169142761) has the molecular formula C23H28F2N8O2 and a molecular weight of 486.53 g/mol. Its IUPAC name is [(1R,2R,3R)-2-fluoro-3-[3-[[2-[(3-fluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[(1R,2R,3R)-2-fluoro-3-[3-[[2-[(3-fluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
PubChem CID169142761
Molecular FormulaC23H28F2N8O2
Molecular Weight486.53 g/mol
Exact Mass486.23
IUPAC Name[(1R,2R,3R)-2-fluoro-3-[3-[[2-[(3-fluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCC1(NC(=O)O[C@@H]2CC[C@H](c3cc(Nc4nccc5nc(CN6CC(F)C6)cn45)n[nH]3)[C@H]2F)CC1
InChIInChI=1S/C23H28F2N8O2/c1-23(5-6-23)29-22(34)35-17-3-2-15(20(17)25)16-8-18(31-30-16)28-21-26-7-4-19-27-14(12-33(19)21)11-32-9-13(24)10-32/h4,7-8,12-13,15,17,20H,2-3,5-6,9-11H2,1H3,(H,29,34)(H2,26,28,30,31)/t15-,17-,20-/m1/s1
InChIKeyUVDWSGMHWAIWNB-WRWLIDTKSA-N
XLogP3.21
TPSA112.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.53
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [(1R,2R,3R)-2-fluoro-3-[3-[[2-[(3-fluoroazetidin-1-yl)methyl]imidazo[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,2R,3R)-2-fluoro-3-[3-[[2-[(3-fluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [(1R,2R,3R)-2-fluoro-3-[3-[[2-[(3-fluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (CID 169142761) is [(1R,2R,3R)-2-fluoro-3-[3-[[2-[(3-fluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [(1R,2R,3R)-2-fluoro-3-[3-[[2-[(3-fluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [(1R,2R,3R)-2-fluoro-3-[3-[[2-[(3-fluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is CC1(NC(=O)O[C@@H]2CC[C@H](c3cc(Nc4nccc5nc(CN6CC(F)C6)cn45)n[nH]3)[C@H]2F)CC1.
What is the InChIKey of [(1R,2R,3R)-2-fluoro-3-[3-[[2-[(3-fluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is UVDWSGMHWAIWNB-WRWLIDTKSA-N. The full InChI is InChI=1S/C23H28F2N8O2/c1-23(5-6-23)29-22(34)35-17-3-2-15(20(17)25)16-8-18(31-30-16)28-21-26-7-4-19-27-14(12-33(19)21)11-32-9-13(24)10-32/h4,7-8,12-13,15,17,20H,2-3,5-6,9-11H2,1H3,(H,29,34)(H2,26,28,30,31)/t15-,17-,20-/m1/s1.
What are the key properties of [(1R,2R,3R)-2-fluoro-3-[3-[[2-[(3-fluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
[(1R,2R,3R)-2-fluoro-3-[3-[[2-[(3-fluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 486.53 g/mol, XLogP of 3.21, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3R)-2-fluoro-3-[3-[[2-[(3-fluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 169142761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).