1-[5-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-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-(1,2-dihydrotriazol-3-yl)propan-1-one;molecular hydrogen

C38H43F2N9O4 — CID 177171948

About 1-[5-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-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-(1,2-dihydrotriazol-3-yl)propan-1-one;molecular hydrogen

1-[5-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-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-(1,2-dihydrotriazol-3-yl)propan-1-one;molecular hydrogen (PubChem CID 177171948) has the molecular formula C38H43F2N9O4 and a molecular weight of 727.82 g/mol. Its IUPAC name is 1-[5-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-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-(1,2-dihydrotriazol-3-yl)propan-1-one;molecular hydrogen.

Molecular Properties

• Compound Name: 1-[5-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-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-(1,2-dihydrotriazol-3-yl)propan-1-one;molecular hydrogen
• PubChem CID: 177171948
• Molecular Formula: C38H43F2N9O4
• Molecular Weight: 727.82 g/mol
• Exact Mass: 727.34
• IUPAC Name: 1-[5-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-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-(1,2-dihydrotriazol-3-yl)propan-1-one;molecular hydrogen
• SMILES: COc1cc(F)cnc1N1CCN(C(=O)c2cc3c(-c4ccc(OCC5CC5)nc4)cc(C4=CCCN(C(=O)CCN5C=CNN5)C4)c(F)c3[nH]2)CC1.[H][H]
• InChI: InChI=1S/C38H41F2N9O4.H2/c1-52-32-17-27(39)21-42-37(32)46-13-15-47(16-14-46)38(51)31-19-30-28(25-6-7-33(41-20-25)53-23-24-4-5-24)18-29(35(40)36(30)44-31)26-3-2-10-48(22-26)34(50)8-11-49-12-9-43-45-49;/h3,6-7,9,12,17-21,24,43-45H,2,4-5,8,10-11,13-16,22-23H2,1H3;1H
• InChIKey: GHBQRFFYLYSXLK-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 131.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	727.82
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-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-(1,2-dihydrotriazol-3-yl)propan-1-one;molecular hydrogen?

The IUPAC name of 1-[5-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-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-(1,2-dihydrotriazol-3-yl)propan-1-one;molecular hydrogen (CID 177171948) is 1-[5-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-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-(1,2-dihydrotriazol-3-yl)propan-1-one;molecular hydrogen.

What is the SMILES notation for 1-[5-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-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-(1,2-dihydrotriazol-3-yl)propan-1-one;molecular hydrogen?

The canonical SMILES for 1-[5-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-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-(1,2-dihydrotriazol-3-yl)propan-1-one;molecular hydrogen is COc1cc(F)cnc1N1CCN(C(=O)c2cc3c(-c4ccc(OCC5CC5)nc4)cc(C4=CCCN(C(=O)CCN5C=CNN5)C4)c(F)c3[nH]2)CC1.[H][H].

What is the InChIKey of 1-[5-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-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-(1,2-dihydrotriazol-3-yl)propan-1-one;molecular hydrogen?

The InChIKey is GHBQRFFYLYSXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H41F2N9O4.H2/c1-52-32-17-27(39)21-42-37(32)46-13-15-47(16-14-46)38(51)31-19-30-28(25-6-7-33(41-20-25)53-23-24-4-5-24)18-29(35(40)36(30)44-31)26-3-2-10-48(22-26)34(50)8-11-49-12-9-43-45-49;/h3,6-7,9,12,17-21,24,43-45H,2,4-5,8,10-11,13-16,22-23H2,1H3;1H.

What are the key properties of 1-[5-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-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-(1,2-dihydrotriazol-3-yl)propan-1-one;molecular hydrogen?

1-[5-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-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-(1,2-dihydrotriazol-3-yl)propan-1-one;molecular hydrogen has a molecular weight of 727.82 g/mol, XLogP of 4.71, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-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-(1,2-dihydrotriazol-3-yl)propan-1-one;molecular hydrogen is sourced from PubChem (CID 177171948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).