[4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorophenyl]-morpholin-4-ylmethanone

C23H22FN7O2 — CID 56682557

IUPAC[4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorophenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(Nc2nc(C3CC3)cn3c(-c4cn[nH]c4)cnc23)c(F)c1)N1CCOCC1
InChIInChI=1S/C23H22FN7O2/c24-17-9-15(23(32)30-5-7-33-8-6-30)3-4-18(17)28-21-22-25-12-20(16-10-26-27-11-16)31(22)13-19(29-21)14-1-2-14/h3-4,9-14H,1-2,5-8H2,(H,26,27)(H,28,29)
InChIKeyYLOQNKKMSVHVDC-UHFFFAOYSA-N
MW447.47 g/mol
LogP3.35
Rot. Bonds5

About [4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorophenyl]-morpholin-4-ylmethanone

[4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorophenyl]-morpholin-4-ylmethanone (PubChem CID 56682557) has the molecular formula C23H22FN7O2 and a molecular weight of 447.47 g/mol. Its IUPAC name is [4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorophenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorophenyl]-morpholin-4-ylmethanone
PubChem CID56682557
Molecular FormulaC23H22FN7O2
Molecular Weight447.47 g/mol
Exact Mass447.18
IUPAC Name[4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorophenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(Nc2nc(C3CC3)cn3c(-c4cn[nH]c4)cnc23)c(F)c1)N1CCOCC1
InChIInChI=1S/C23H22FN7O2/c24-17-9-15(23(32)30-5-7-33-8-6-30)3-4-18(17)28-21-22-25-12-20(16-10-26-27-11-16)31(22)13-19(29-21)14-1-2-14/h3-4,9-14H,1-2,5-8H2,(H,26,27)(H,28,29)
InChIKeyYLOQNKKMSVHVDC-UHFFFAOYSA-N
XLogP3.35
TPSA100.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorophenyl]-morpholin-4-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorophenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorophenyl]-morpholin-4-ylmethanone (CID 56682557) is [4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorophenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorophenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorophenyl]-morpholin-4-ylmethanone is O=C(c1ccc(Nc2nc(C3CC3)cn3c(-c4cn[nH]c4)cnc23)c(F)c1)N1CCOCC1.
What is the InChIKey of [4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorophenyl]-morpholin-4-ylmethanone?
The InChIKey is YLOQNKKMSVHVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7O2/c24-17-9-15(23(32)30-5-7-33-8-6-30)3-4-18(17)28-21-22-25-12-20(16-10-26-27-11-16)31(22)13-19(29-21)14-1-2-14/h3-4,9-14H,1-2,5-8H2,(H,26,27)(H,28,29).
What are the key properties of [4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorophenyl]-morpholin-4-ylmethanone?
[4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorophenyl]-morpholin-4-ylmethanone has a molecular weight of 447.47 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorophenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 56682557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).