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

C38H40F2N10O4 — CID 177169884

IUPAC1-[5-[7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-4-(2-morpholin-4-yl-4-pyridinyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
SMILESCOc1cc(F)cnc1N1CCN(C(=O)c2cc3c(-c4ccnc(N5CCOCC5)c4)cc(C4=CCCN(C(=O)CCn5ccnn5)C4)c(F)c3[nH]2)CC1
InChIInChI=1S/C38H40F2N10O4/c1-53-32-20-27(39)23-42-37(32)47-11-13-48(14-12-47)38(52)31-22-30-28(25-4-6-41-33(19-25)46-15-17-54-18-16-46)21-29(35(40)36(30)44-31)26-3-2-8-49(24-26)34(51)5-9-50-10-7-43-45-50/h3-4,6-7,10,19-23,44H,2,5,8-9,11-18,24H2,1H3
InChIKeyODPCDUJBDPWHBQ-UHFFFAOYSA-N
MW738.80 g/mol
LogP4.01
Rot. Bonds9

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

1-[5-[7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-4-(2-morpholin-4-yl-4-pyridinyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one (PubChem CID 177169884) has the molecular formula C38H40F2N10O4 and a molecular weight of 738.80 g/mol. Its IUPAC name is 1-[5-[7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-4-(2-morpholin-4-yl-4-pyridinyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[5-[7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-4-(2-morpholin-4-yl-4-pyridinyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
PubChem CID177169884
Molecular FormulaC38H40F2N10O4
Molecular Weight738.80 g/mol
Exact Mass738.32
IUPAC Name1-[5-[7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-4-(2-morpholin-4-yl-4-pyridinyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
SMILESCOc1cc(F)cnc1N1CCN(C(=O)c2cc3c(-c4ccnc(N5CCOCC5)c4)cc(C4=CCCN(C(=O)CCn5ccnn5)C4)c(F)c3[nH]2)CC1
InChIInChI=1S/C38H40F2N10O4/c1-53-32-20-27(39)23-42-37(32)47-11-13-48(14-12-47)38(52)31-22-30-28(25-4-6-41-33(19-25)46-15-17-54-18-16-46)21-29(35(40)36(30)44-31)26-3-2-8-49(24-26)34(51)5-9-50-10-7-43-45-50/h3-4,6-7,10,19-23,44H,2,5,8-9,11-18,24H2,1H3
InChIKeyODPCDUJBDPWHBQ-UHFFFAOYSA-N
XLogP4.01
TPSA137.84 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.80
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-4-(2-morpholin-4-yl-4-pyridinyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one?
The IUPAC name of 1-[5-[7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-4-(2-morpholin-4-yl-4-pyridinyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one (CID 177169884) is 1-[5-[7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-4-(2-morpholin-4-yl-4-pyridinyl)-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-[7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-4-(2-morpholin-4-yl-4-pyridinyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one?
The canonical SMILES for 1-[5-[7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-4-(2-morpholin-4-yl-4-pyridinyl)-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(-c4ccnc(N5CCOCC5)c4)cc(C4=CCCN(C(=O)CCn5ccnn5)C4)c(F)c3[nH]2)CC1.
What is the InChIKey of 1-[5-[7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-4-(2-morpholin-4-yl-4-pyridinyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one?
The InChIKey is ODPCDUJBDPWHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40F2N10O4/c1-53-32-20-27(39)23-42-37(32)47-11-13-48(14-12-47)38(52)31-22-30-28(25-4-6-41-33(19-25)46-15-17-54-18-16-46)21-29(35(40)36(30)44-31)26-3-2-8-49(24-26)34(51)5-9-50-10-7-43-45-50/h3-4,6-7,10,19-23,44H,2,5,8-9,11-18,24H2,1H3.
What are the key properties of 1-[5-[7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-4-(2-morpholin-4-yl-4-pyridinyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one?
1-[5-[7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-4-(2-morpholin-4-yl-4-pyridinyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one has a molecular weight of 738.80 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-4-(2-morpholin-4-yl-4-pyridinyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one is sourced from PubChem (CID 177169884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).