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

C23H23FN8O — CID 53484181

IUPAC[4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorophenyl]-piperazin-1-ylmethanone
SMILESO=C(c1ccc(Nc2nc(C3CC3)cn3c(-c4cn[nH]c4)cnc23)c(F)c1)N1CCNCC1
InChIInChI=1S/C23H23FN8O/c24-17-9-15(23(33)31-7-5-25-6-8-31)3-4-18(17)29-21-22-26-12-20(16-10-27-28-11-16)32(22)13-19(30-21)14-1-2-14/h3-4,9-14,25H,1-2,5-8H2,(H,27,28)(H,29,30)
InChIKeyZEZGZTLWRQKVFN-UHFFFAOYSA-N
MW446.49 g/mol
LogP2.92
Rot. Bonds5

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

[4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorophenyl]-piperazin-1-ylmethanone (PubChem CID 53484181) has the molecular formula C23H23FN8O and a molecular weight of 446.49 g/mol. Its IUPAC name is [4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorophenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorophenyl]-piperazin-1-ylmethanone
PubChem CID53484181
Molecular FormulaC23H23FN8O
Molecular Weight446.49 g/mol
Exact Mass446.20
IUPAC Name[4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorophenyl]-piperazin-1-ylmethanone
SMILESO=C(c1ccc(Nc2nc(C3CC3)cn3c(-c4cn[nH]c4)cnc23)c(F)c1)N1CCNCC1
InChIInChI=1S/C23H23FN8O/c24-17-9-15(23(33)31-7-5-25-6-8-31)3-4-18(17)29-21-22-26-12-20(16-10-27-28-11-16)32(22)13-19(30-21)14-1-2-14/h3-4,9-14,25H,1-2,5-8H2,(H,27,28)(H,29,30)
InChIKeyZEZGZTLWRQKVFN-UHFFFAOYSA-N
XLogP2.92
TPSA103.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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]-piperazin-1-ylmethanone?
The IUPAC name of [4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorophenyl]-piperazin-1-ylmethanone (CID 53484181) is [4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorophenyl]-piperazin-1-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]-piperazin-1-ylmethanone?
The canonical SMILES for [4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorophenyl]-piperazin-1-ylmethanone is O=C(c1ccc(Nc2nc(C3CC3)cn3c(-c4cn[nH]c4)cnc23)c(F)c1)N1CCNCC1.
What is the InChIKey of [4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorophenyl]-piperazin-1-ylmethanone?
The InChIKey is ZEZGZTLWRQKVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN8O/c24-17-9-15(23(33)31-7-5-25-6-8-31)3-4-18(17)29-21-22-26-12-20(16-10-27-28-11-16)32(22)13-19(30-21)14-1-2-14/h3-4,9-14,25H,1-2,5-8H2,(H,27,28)(H,29,30).
What are the key properties of [4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorophenyl]-piperazin-1-ylmethanone?
[4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-fluorophenyl]-piperazin-1-ylmethanone has a molecular weight of 446.49 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 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]-piperazin-1-ylmethanone is sourced from PubChem (CID 53484181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).