[(3R,4R,5R)-5-[3-[(2-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate

C20H24FN7O3 — CID 169142489

IUPAC[(3R,4R,5R)-5-[3-[(2-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)O[C@@H]1CO[C@H](c2cc(Nc3nccc4nc(C5CC5)cn34)n[nH]2)[C@H]1F
InChIInChI=1S/C20H24FN7O3/c1-10(2)23-20(29)31-14-9-30-18(17(14)21)12-7-15(27-26-12)25-19-22-6-5-16-24-13(8-28(16)19)11-3-4-11/h5-8,10-11,14,17-18H,3-4,9H2,1-2H3,(H,23,29)(H2,22,25,26,27)/t14-,17+,18-/m1/s1
InChIKeyPJEHBKOJQRDENK-FHLIZLRMSA-N
MW429.46 g/mol
LogP2.99
Rot. Bonds6

About [(3R,4R,5R)-5-[3-[(2-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate

[(3R,4R,5R)-5-[3-[(2-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate (PubChem CID 169142489) has the molecular formula C20H24FN7O3 and a molecular weight of 429.46 g/mol. Its IUPAC name is [(3R,4R,5R)-5-[3-[(2-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[(3R,4R,5R)-5-[3-[(2-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate
PubChem CID169142489
Molecular FormulaC20H24FN7O3
Molecular Weight429.46 g/mol
Exact Mass429.19
IUPAC Name[(3R,4R,5R)-5-[3-[(2-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)O[C@@H]1CO[C@H](c2cc(Nc3nccc4nc(C5CC5)cn34)n[nH]2)[C@H]1F
InChIInChI=1S/C20H24FN7O3/c1-10(2)23-20(29)31-14-9-30-18(17(14)21)12-7-15(27-26-12)25-19-22-6-5-16-24-13(8-28(16)19)11-3-4-11/h5-8,10-11,14,17-18H,3-4,9H2,1-2H3,(H,23,29)(H2,22,25,26,27)/t14-,17+,18-/m1/s1
InChIKeyPJEHBKOJQRDENK-FHLIZLRMSA-N
XLogP2.99
TPSA118.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [(3R,4R,5R)-5-[3-[(2-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R,5R)-5-[3-[(2-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate?
The IUPAC name of [(3R,4R,5R)-5-[3-[(2-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate (CID 169142489) is [(3R,4R,5R)-5-[3-[(2-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate.
What is the SMILES notation for [(3R,4R,5R)-5-[3-[(2-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate?
The canonical SMILES for [(3R,4R,5R)-5-[3-[(2-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate is CC(C)NC(=O)O[C@@H]1CO[C@H](c2cc(Nc3nccc4nc(C5CC5)cn34)n[nH]2)[C@H]1F.
What is the InChIKey of [(3R,4R,5R)-5-[3-[(2-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate?
The InChIKey is PJEHBKOJQRDENK-FHLIZLRMSA-N. The full InChI is InChI=1S/C20H24FN7O3/c1-10(2)23-20(29)31-14-9-30-18(17(14)21)12-7-15(27-26-12)25-19-22-6-5-16-24-13(8-28(16)19)11-3-4-11/h5-8,10-11,14,17-18H,3-4,9H2,1-2H3,(H,23,29)(H2,22,25,26,27)/t14-,17+,18-/m1/s1.
What are the key properties of [(3R,4R,5R)-5-[3-[(2-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate?
[(3R,4R,5R)-5-[3-[(2-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate has a molecular weight of 429.46 g/mol, XLogP of 2.99, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R,5R)-5-[3-[(2-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate is sourced from PubChem (CID 169142489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).