[(3S,4R,5S)-4-fluoro-5-[3-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-ylamino)-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

C23H26FN7O3 — CID 169142699

IUPAC[(3S,4R,5S)-4-fluoro-5-[3-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-ylamino)-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
SMILESO=C(NC12CC(C1)C2)O[C@H]1CO[C@@H](c2cc(Nc3nccn4nc5c(c34)CCCC5)n[nH]2)[C@H]1F
InChIInChI=1S/C23H26FN7O3/c24-18-16(34-22(32)27-23-8-12(9-23)10-23)11-33-20(18)15-7-17(29-28-15)26-21-19-13-3-1-2-4-14(13)30-31(19)6-5-25-21/h5-7,12,16,18,20H,1-4,8-11H2,(H,27,32)(H2,25,26,28,29)/t12?,16-,18-,20-,23?/m0/s1
InChIKeyGWDTXFOJZKBPNW-IWVQINHHSA-N
MW467.51 g/mol
LogP3.13
Rot. Bonds5

About [(3S,4R,5S)-4-fluoro-5-[3-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-ylamino)-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

[(3S,4R,5S)-4-fluoro-5-[3-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-ylamino)-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (PubChem CID 169142699) has the molecular formula C23H26FN7O3 and a molecular weight of 467.51 g/mol. Its IUPAC name is [(3S,4R,5S)-4-fluoro-5-[3-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-ylamino)-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate.

Molecular Properties

Compound Name[(3S,4R,5S)-4-fluoro-5-[3-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-ylamino)-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
PubChem CID169142699
Molecular FormulaC23H26FN7O3
Molecular Weight467.51 g/mol
Exact Mass467.21
IUPAC Name[(3S,4R,5S)-4-fluoro-5-[3-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-ylamino)-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
SMILESO=C(NC12CC(C1)C2)O[C@H]1CO[C@@H](c2cc(Nc3nccn4nc5c(c34)CCCC5)n[nH]2)[C@H]1F
InChIInChI=1S/C23H26FN7O3/c24-18-16(34-22(32)27-23-8-12(9-23)10-23)11-33-20(18)15-7-17(29-28-15)26-21-19-13-3-1-2-4-14(13)30-31(19)6-5-25-21/h5-7,12,16,18,20H,1-4,8-11H2,(H,27,32)(H2,25,26,28,29)/t12?,16-,18-,20-,23?/m0/s1
InChIKeyGWDTXFOJZKBPNW-IWVQINHHSA-N
XLogP3.13
TPSA118.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.51
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [(3S,4R,5S)-4-fluoro-5-[3-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-ylamino)-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3S,4R,5S)-4-fluoro-5-[3-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-ylamino)-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?
The IUPAC name of [(3S,4R,5S)-4-fluoro-5-[3-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-ylamino)-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (CID 169142699) is [(3S,4R,5S)-4-fluoro-5-[3-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-ylamino)-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate.
What is the SMILES notation for [(3S,4R,5S)-4-fluoro-5-[3-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-ylamino)-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?
The canonical SMILES for [(3S,4R,5S)-4-fluoro-5-[3-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-ylamino)-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is O=C(NC12CC(C1)C2)O[C@H]1CO[C@@H](c2cc(Nc3nccn4nc5c(c34)CCCC5)n[nH]2)[C@H]1F.
What is the InChIKey of [(3S,4R,5S)-4-fluoro-5-[3-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-ylamino)-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?
The InChIKey is GWDTXFOJZKBPNW-IWVQINHHSA-N. The full InChI is InChI=1S/C23H26FN7O3/c24-18-16(34-22(32)27-23-8-12(9-23)10-23)11-33-20(18)15-7-17(29-28-15)26-21-19-13-3-1-2-4-14(13)30-31(19)6-5-25-21/h5-7,12,16,18,20H,1-4,8-11H2,(H,27,32)(H2,25,26,28,29)/t12?,16-,18-,20-,23?/m0/s1.
What are the key properties of [(3S,4R,5S)-4-fluoro-5-[3-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-ylamino)-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?
[(3S,4R,5S)-4-fluoro-5-[3-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-ylamino)-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate has a molecular weight of 467.51 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R,5S)-4-fluoro-5-[3-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-ylamino)-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is sourced from PubChem (CID 169142699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).