methane;1-[(3S)-3-methoxy-1-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxypyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone

C62H79N13O7 — CID 158984384

About methane;1-[(3S)-3-methoxy-1-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxypyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone

methane;1-[(3S)-3-methoxy-1-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxypyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone (PubChem CID 158984384) has the molecular formula C62H79N13O7 and a molecular weight of 1118.40 g/mol. Its IUPAC name is methane;1-[(3S)-3-methoxy-1-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxypyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone.

Molecular Properties

• Compound Name: methane;1-[(3S)-3-methoxy-1-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxypyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone
• PubChem CID: 158984384
• Molecular Formula: C62H79N13O7
• Molecular Weight: 1118.40 g/mol
• Exact Mass: 1117.62
• IUPAC Name: methane;1-[(3S)-3-methoxy-1-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxypyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone
• SMILES: C.C.C.CO[C@@]1(C(=O)Cc2ccc3[nH]nc(-c4ccc(OC(C)C)nc4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncn(C)n4)cn3)CC2)C1.CO[C@@]1(C(=O)Cc2ccc3[nH]nc(-c4ccc(OC(C)C)nc4)c3c2)CCNC1
• InChI: InChI=1S/C37H41N9O4.C22H26N4O3.3CH4/c1-24(2)50-33-10-7-27(19-39-33)35-29-17-25(5-8-31(29)41-42-35)18-32(47)37(49-4)13-16-45(22-37)21-34(48)46-14-11-26(12-15-46)30-9-6-28(20-38-30)36-40-23-44(3)43-36;1-14(2)29-20-7-5-16(12-24-20)21-17-10-15(4-6-18(17)25-26-21)11-19(27)22(28-3)8-9-23-13-22;;;/h5-11,17,19-20,23-24H,12-16,18,21-22H2,1-4H3,(H,41,42);4-7,10,12,14,23H,8-9,11,13H2,1-3H3,(H,25,26);3*1H4/t37-;22-;;;/m00.../s1
• InChIKey: JPJWMWOJIVKOPK-MKOZCMCNSA-N
• XLogP: 8.93
• TPSA: 233.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 18
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1118.40
LogP ≤ 5	8.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of methane;1-[(3S)-3-methoxy-1-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxypyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone?

The IUPAC name of methane;1-[(3S)-3-methoxy-1-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxypyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone (CID 158984384) is methane;1-[(3S)-3-methoxy-1-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxypyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone.

What is the SMILES notation for methane;1-[(3S)-3-methoxy-1-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxypyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone?

The canonical SMILES for methane;1-[(3S)-3-methoxy-1-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxypyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone is C.C.C.CO[C@@]1(C(=O)Cc2ccc3[nH]nc(-c4ccc(OC(C)C)nc4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncn(C)n4)cn3)CC2)C1.CO[C@@]1(C(=O)Cc2ccc3[nH]nc(-c4ccc(OC(C)C)nc4)c3c2)CCNC1.

What is the InChIKey of methane;1-[(3S)-3-methoxy-1-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxypyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone?

The InChIKey is JPJWMWOJIVKOPK-MKOZCMCNSA-N. The full InChI is InChI=1S/C37H41N9O4.C22H26N4O3.3CH4/c1-24(2)50-33-10-7-27(19-39-33)35-29-17-25(5-8-31(29)41-42-35)18-32(47)37(49-4)13-16-45(22-37)21-34(48)46-14-11-26(12-15-46)30-9-6-28(20-38-30)36-40-23-44(3)43-36;1-14(2)29-20-7-5-16(12-24-20)21-17-10-15(4-6-18(17)25-26-21)11-19(27)22(28-3)8-9-23-13-22;;;/h5-11,17,19-20,23-24H,12-16,18,21-22H2,1-4H3,(H,41,42);4-7,10,12,14,23H,8-9,11,13H2,1-3H3,(H,25,26);3*1H4/t37-;22-;;;/m00.../s1.

What are the key properties of methane;1-[(3S)-3-methoxy-1-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxypyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone?

methane;1-[(3S)-3-methoxy-1-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxypyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone has a molecular weight of 1118.40 g/mol, XLogP of 8.93, 18 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for methane;1-[(3S)-3-methoxy-1-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxypyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone is sourced from PubChem (CID 158984384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).