2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-4-(2-fluoroethyl)-3-methylpiperazin-1-yl]-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one

C24H30FN6OP — CID 145199983

IUPAC2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-4-(2-fluoroethyl)-3-methylpiperazin-1-yl]-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
SMILESCCc1nc(C)cn2nc(C3=CC(=O)N4C=C(N5CCN(CCF)[C@H](C)C5)C=CC4P3)cc12
InChIInChI=1S/C24H30FN6OP/c1-4-19-21-11-20(27-31(21)13-16(2)26-19)22-12-23(32)30-15-18(5-6-24(30)33-22)29-10-9-28(8-7-25)17(3)14-29/h5-6,11-13,15,17,24,33H,4,7-10,14H2,1-3H3/t17-,24?/m1/s1
InChIKeyVLBBSHAQTCEXEY-BPNWFJGMSA-N
MW468.52 g/mol
LogP3.17
Rot. Bonds5

About 2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-4-(2-fluoroethyl)-3-methylpiperazin-1-yl]-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one

2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-4-(2-fluoroethyl)-3-methylpiperazin-1-yl]-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one (PubChem CID 145199983) has the molecular formula C24H30FN6OP and a molecular weight of 468.52 g/mol. Its IUPAC name is 2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-4-(2-fluoroethyl)-3-methylpiperazin-1-yl]-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one.

Molecular Properties

Compound Name2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-4-(2-fluoroethyl)-3-methylpiperazin-1-yl]-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
PubChem CID145199983
Molecular FormulaC24H30FN6OP
Molecular Weight468.52 g/mol
Exact Mass468.22
IUPAC Name2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-4-(2-fluoroethyl)-3-methylpiperazin-1-yl]-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
SMILESCCc1nc(C)cn2nc(C3=CC(=O)N4C=C(N5CCN(CCF)[C@H](C)C5)C=CC4P3)cc12
InChIInChI=1S/C24H30FN6OP/c1-4-19-21-11-20(27-31(21)13-16(2)26-19)22-12-23(32)30-15-18(5-6-24(30)33-22)29-10-9-28(8-7-25)17(3)14-29/h5-6,11-13,15,17,24,33H,4,7-10,14H2,1-3H3/t17-,24?/m1/s1
InChIKeyVLBBSHAQTCEXEY-BPNWFJGMSA-N
XLogP3.17
TPSA56.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-4-(2-fluoroethyl)-3-methylpiperazin-1-yl]-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one?
The IUPAC name of 2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-4-(2-fluoroethyl)-3-methylpiperazin-1-yl]-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one (CID 145199983) is 2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-4-(2-fluoroethyl)-3-methylpiperazin-1-yl]-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one.
What is the SMILES notation for 2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-4-(2-fluoroethyl)-3-methylpiperazin-1-yl]-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one?
The canonical SMILES for 2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-4-(2-fluoroethyl)-3-methylpiperazin-1-yl]-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one is CCc1nc(C)cn2nc(C3=CC(=O)N4C=C(N5CCN(CCF)[C@H](C)C5)C=CC4P3)cc12.
What is the InChIKey of 2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-4-(2-fluoroethyl)-3-methylpiperazin-1-yl]-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one?
The InChIKey is VLBBSHAQTCEXEY-BPNWFJGMSA-N. The full InChI is InChI=1S/C24H30FN6OP/c1-4-19-21-11-20(27-31(21)13-16(2)26-19)22-12-23(32)30-15-18(5-6-24(30)33-22)29-10-9-28(8-7-25)17(3)14-29/h5-6,11-13,15,17,24,33H,4,7-10,14H2,1-3H3/t17-,24?/m1/s1.
What are the key properties of 2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-4-(2-fluoroethyl)-3-methylpiperazin-1-yl]-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one?
2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-4-(2-fluoroethyl)-3-methylpiperazin-1-yl]-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one has a molecular weight of 468.52 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-4-(2-fluoroethyl)-3-methylpiperazin-1-yl]-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one is sourced from PubChem (CID 145199983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).