1-[5-[4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one

C35H36F2N10O3 — CID 177170837

IUPAC1-[5-[4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
SMILESCOc1cc(F)cnc1N1CCN(C(=O)c2cc3c(-c4cnn(C5CC5)c4)cc(C4=CCCN(C(=O)CCn5ccnn5)C4)c(F)c3[nH]2)CC1
InChIInChI=1S/C35H36F2N10O3/c1-50-30-15-24(36)19-38-34(30)43-11-13-44(14-12-43)35(49)29-17-28-26(23-18-40-47(21-23)25-4-5-25)16-27(32(37)33(28)41-29)22-3-2-8-45(20-22)31(48)6-9-46-10-7-39-42-46/h3,7,10,15-19,21,25,41H,2,4-6,8-9,11-14,20H2,1H3
InChIKeyQCPYIVDSNZXJIK-UHFFFAOYSA-N
MW682.74 g/mol
LogP4.31
Rot. Bonds9

About 1-[5-[4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one

1-[5-[4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one (PubChem CID 177170837) has the molecular formula C35H36F2N10O3 and a molecular weight of 682.74 g/mol. Its IUPAC name is 1-[5-[4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[5-[4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
PubChem CID177170837
Molecular FormulaC35H36F2N10O3
Molecular Weight682.74 g/mol
Exact Mass682.29
IUPAC Name1-[5-[4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
SMILESCOc1cc(F)cnc1N1CCN(C(=O)c2cc3c(-c4cnn(C5CC5)c4)cc(C4=CCCN(C(=O)CCn5ccnn5)C4)c(F)c3[nH]2)CC1
InChIInChI=1S/C35H36F2N10O3/c1-50-30-15-24(36)19-38-34(30)43-11-13-44(14-12-43)35(49)29-17-28-26(23-18-40-47(21-23)25-4-5-25)16-27(32(37)33(28)41-29)22-3-2-8-45(20-22)31(48)6-9-46-10-7-39-42-46/h3,7,10,15-19,21,25,41H,2,4-6,8-9,11-14,20H2,1H3
InChIKeyQCPYIVDSNZXJIK-UHFFFAOYSA-N
XLogP4.31
TPSA130.30 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500682.74
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-[5-[4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one 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-[5-[4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one?
The IUPAC name of 1-[5-[4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one (CID 177170837) is 1-[5-[4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[5-[4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one?
The canonical SMILES for 1-[5-[4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one is COc1cc(F)cnc1N1CCN(C(=O)c2cc3c(-c4cnn(C5CC5)c4)cc(C4=CCCN(C(=O)CCn5ccnn5)C4)c(F)c3[nH]2)CC1.
What is the InChIKey of 1-[5-[4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one?
The InChIKey is QCPYIVDSNZXJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36F2N10O3/c1-50-30-15-24(36)19-38-34(30)43-11-13-44(14-12-43)35(49)29-17-28-26(23-18-40-47(21-23)25-4-5-25)16-27(32(37)33(28)41-29)22-3-2-8-45(20-22)31(48)6-9-46-10-7-39-42-46/h3,7,10,15-19,21,25,41H,2,4-6,8-9,11-14,20H2,1H3.
What are the key properties of 1-[5-[4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one?
1-[5-[4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one has a molecular weight of 682.74 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one is sourced from PubChem (CID 177170837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).