[(3S,4R,5S)-4-fluoro-5-[3-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate

C21H24FN9O3 — CID 169142346

IUPAC[(3S,4R,5S)-4-fluoro-5-[3-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)O[C@H]1CO[C@@H](c2cc(Nc3nc(-c4cnn(C)c4)cn4nccc34)n[nH]2)[C@H]1F
InChIInChI=1S/C21H24FN9O3/c1-11(2)25-21(32)34-16-10-33-19(18(16)22)13-6-17(29-28-13)27-20-15-4-5-23-31(15)9-14(26-20)12-7-24-30(3)8-12/h4-9,11,16,18-19H,10H2,1-3H3,(H,25,32)(H2,26,27,28,29)/t16-,18-,19-/m0/s1
InChIKeyOYQLDZYHCQPVIC-WDSOQIARSA-N
MW469.48 g/mol
LogP2.51
Rot. Bonds6

About [(3S,4R,5S)-4-fluoro-5-[3-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate

[(3S,4R,5S)-4-fluoro-5-[3-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate (PubChem CID 169142346) has the molecular formula C21H24FN9O3 and a molecular weight of 469.48 g/mol. Its IUPAC name is [(3S,4R,5S)-4-fluoro-5-[3-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[(3S,4R,5S)-4-fluoro-5-[3-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate
PubChem CID169142346
Molecular FormulaC21H24FN9O3
Molecular Weight469.48 g/mol
Exact Mass469.20
IUPAC Name[(3S,4R,5S)-4-fluoro-5-[3-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)O[C@H]1CO[C@@H](c2cc(Nc3nc(-c4cnn(C)c4)cn4nccc34)n[nH]2)[C@H]1F
InChIInChI=1S/C21H24FN9O3/c1-11(2)25-21(32)34-16-10-33-19(18(16)22)13-6-17(29-28-13)27-20-15-4-5-23-31(15)9-14(26-20)12-7-24-30(3)8-12/h4-9,11,16,18-19H,10H2,1-3H3,(H,25,32)(H2,26,27,28,29)/t16-,18-,19-/m0/s1
InChIKeyOYQLDZYHCQPVIC-WDSOQIARSA-N
XLogP2.51
TPSA136.28 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.48
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze [(3S,4R,5S)-4-fluoro-5-[3-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3S,4R,5S)-4-fluoro-5-[3-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate?
The IUPAC name of [(3S,4R,5S)-4-fluoro-5-[3-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate (CID 169142346) is [(3S,4R,5S)-4-fluoro-5-[3-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate.
What is the SMILES notation for [(3S,4R,5S)-4-fluoro-5-[3-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate?
The canonical SMILES for [(3S,4R,5S)-4-fluoro-5-[3-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate is CC(C)NC(=O)O[C@H]1CO[C@@H](c2cc(Nc3nc(-c4cnn(C)c4)cn4nccc34)n[nH]2)[C@H]1F.
What is the InChIKey of [(3S,4R,5S)-4-fluoro-5-[3-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate?
The InChIKey is OYQLDZYHCQPVIC-WDSOQIARSA-N. The full InChI is InChI=1S/C21H24FN9O3/c1-11(2)25-21(32)34-16-10-33-19(18(16)22)13-6-17(29-28-13)27-20-15-4-5-23-31(15)9-14(26-20)12-7-24-30(3)8-12/h4-9,11,16,18-19H,10H2,1-3H3,(H,25,32)(H2,26,27,28,29)/t16-,18-,19-/m0/s1.
What are the key properties of [(3S,4R,5S)-4-fluoro-5-[3-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate?
[(3S,4R,5S)-4-fluoro-5-[3-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate has a molecular weight of 469.48 g/mol, XLogP of 2.51, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R,5S)-4-fluoro-5-[3-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate is sourced from PubChem (CID 169142346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).