1-[7-amino-5-[(2R,6S)-1-(3-amino-1H-pyrazole-5-carbonyl)-2,6-dimethylpiperidin-4-yl]-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone

C30H30FN9O2 — CID 118629358

IUPAC1-[7-amino-5-[(2R,6S)-1-(3-amino-1H-pyrazole-5-carbonyl)-2,6-dimethylpiperidin-4-yl]-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
SMILESCC(=O)c1c(C2C[C@@H](C)N(C(=O)c3cc(N)n[nH]3)[C@@H](C)C2)nc2c(-c3ccc(-c4ccc(F)cc4)nc3)cnn2c1N
InChIInChI=1S/C30H30FN9O2/c1-15-10-20(11-16(2)39(15)30(42)24-12-25(32)38-37-24)27-26(17(3)41)28(33)40-29(36-27)22(14-35-40)19-6-9-23(34-13-19)18-4-7-21(31)8-5-18/h4-9,12-16,20H,10-11,33H2,1-3H3,(H3,32,37,38)/t15-,16+,20?
InChIKeyRBDCSZZNZAVGJP-NYTJIUQPSA-N
MW567.63 g/mol
LogP4.48
Rot. Bonds5

About 1-[7-amino-5-[(2R,6S)-1-(3-amino-1H-pyrazole-5-carbonyl)-2,6-dimethylpiperidin-4-yl]-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone

1-[7-amino-5-[(2R,6S)-1-(3-amino-1H-pyrazole-5-carbonyl)-2,6-dimethylpiperidin-4-yl]-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone (PubChem CID 118629358) has the molecular formula C30H30FN9O2 and a molecular weight of 567.63 g/mol. Its IUPAC name is 1-[7-amino-5-[(2R,6S)-1-(3-amino-1H-pyrazole-5-carbonyl)-2,6-dimethylpiperidin-4-yl]-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name1-[7-amino-5-[(2R,6S)-1-(3-amino-1H-pyrazole-5-carbonyl)-2,6-dimethylpiperidin-4-yl]-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
PubChem CID118629358
Molecular FormulaC30H30FN9O2
Molecular Weight567.63 g/mol
Exact Mass567.25
IUPAC Name1-[7-amino-5-[(2R,6S)-1-(3-amino-1H-pyrazole-5-carbonyl)-2,6-dimethylpiperidin-4-yl]-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
SMILESCC(=O)c1c(C2C[C@@H](C)N(C(=O)c3cc(N)n[nH]3)[C@@H](C)C2)nc2c(-c3ccc(-c4ccc(F)cc4)nc3)cnn2c1N
InChIInChI=1S/C30H30FN9O2/c1-15-10-20(11-16(2)39(15)30(42)24-12-25(32)38-37-24)27-26(17(3)41)28(33)40-29(36-27)22(14-35-40)19-6-9-23(34-13-19)18-4-7-21(31)8-5-18/h4-9,12-16,20H,10-11,33H2,1-3H3,(H3,32,37,38)/t15-,16+,20?
InChIKeyRBDCSZZNZAVGJP-NYTJIUQPSA-N
XLogP4.48
TPSA161.18 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.63
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-[7-amino-5-[(2R,6S)-1-(3-amino-1H-pyrazole-5-carbonyl)-2,6-dimethylpiperidin-4-yl]-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[7-amino-5-[(2R,6S)-1-(3-amino-1H-pyrazole-5-carbonyl)-2,6-dimethylpiperidin-4-yl]-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The IUPAC name of 1-[7-amino-5-[(2R,6S)-1-(3-amino-1H-pyrazole-5-carbonyl)-2,6-dimethylpiperidin-4-yl]-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone (CID 118629358) is 1-[7-amino-5-[(2R,6S)-1-(3-amino-1H-pyrazole-5-carbonyl)-2,6-dimethylpiperidin-4-yl]-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 1-[7-amino-5-[(2R,6S)-1-(3-amino-1H-pyrazole-5-carbonyl)-2,6-dimethylpiperidin-4-yl]-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The canonical SMILES for 1-[7-amino-5-[(2R,6S)-1-(3-amino-1H-pyrazole-5-carbonyl)-2,6-dimethylpiperidin-4-yl]-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone is CC(=O)c1c(C2C[C@@H](C)N(C(=O)c3cc(N)n[nH]3)[C@@H](C)C2)nc2c(-c3ccc(-c4ccc(F)cc4)nc3)cnn2c1N.
What is the InChIKey of 1-[7-amino-5-[(2R,6S)-1-(3-amino-1H-pyrazole-5-carbonyl)-2,6-dimethylpiperidin-4-yl]-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The InChIKey is RBDCSZZNZAVGJP-NYTJIUQPSA-N. The full InChI is InChI=1S/C30H30FN9O2/c1-15-10-20(11-16(2)39(15)30(42)24-12-25(32)38-37-24)27-26(17(3)41)28(33)40-29(36-27)22(14-35-40)19-6-9-23(34-13-19)18-4-7-21(31)8-5-18/h4-9,12-16,20H,10-11,33H2,1-3H3,(H3,32,37,38)/t15-,16+,20?.
What are the key properties of 1-[7-amino-5-[(2R,6S)-1-(3-amino-1H-pyrazole-5-carbonyl)-2,6-dimethylpiperidin-4-yl]-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
1-[7-amino-5-[(2R,6S)-1-(3-amino-1H-pyrazole-5-carbonyl)-2,6-dimethylpiperidin-4-yl]-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone has a molecular weight of 567.63 g/mol, XLogP of 4.48, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-amino-5-[(2R,6S)-1-(3-amino-1H-pyrazole-5-carbonyl)-2,6-dimethylpiperidin-4-yl]-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 118629358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).