methylsulfanylmethane;1-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-pyrrolidin-1-ylethanone;N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]formamide

C38H47N9O3S — CID 143851914

About methylsulfanylmethane;1-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-pyrrolidin-1-ylethanone;N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]formamide

methylsulfanylmethane;1-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-pyrrolidin-1-ylethanone;N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]formamide (PubChem CID 143851914) has the molecular formula C38H47N9O3S and a molecular weight of 709.92 g/mol. Its IUPAC name is methylsulfanylmethane;1-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-pyrrolidin-1-ylethanone;N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]formamide.

Molecular Properties

• Compound Name: methylsulfanylmethane;1-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-pyrrolidin-1-ylethanone;N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]formamide
• PubChem CID: 143851914
• Molecular Formula: C38H47N9O3S
• Molecular Weight: 709.92 g/mol
• Exact Mass: 709.35
• IUPAC Name: methylsulfanylmethane;1-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-pyrrolidin-1-ylethanone;N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]formamide
• SMILES: CC(C)Oc1ccc(-c2n[nH]c3ccc(NC=O)cc23)cn1.CSC.Cn1cnc(-c2ccc(C3=CCN(C(=O)CN4CCCC4)CC3)cc2)n1
• InChI: InChI=1S/C20H25N5O.C16H16N4O2.C2H6S/c1-23-15-21-20(22-23)18-6-4-16(5-7-18)17-8-12-25(13-9-17)19(26)14-24-10-2-3-11-24;1-10(2)22-15-6-3-11(8-17-15)16-13-7-12(18-9-21)4-5-14(13)19-20-16;1-3-2/h4-8,15H,2-3,9-14H2,1H3;3-10H,1-2H3,(H,18,21)(H,19,20);1-2H3
• InChIKey: NVWHTRZIUNOEOS-UHFFFAOYSA-N
• XLogP: 6.15
• TPSA: 134.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	709.92
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methylsulfanylmethane;1-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-pyrrolidin-1-ylethanone;N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]formamide?

The IUPAC name of methylsulfanylmethane;1-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-pyrrolidin-1-ylethanone;N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]formamide (CID 143851914) is methylsulfanylmethane;1-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-pyrrolidin-1-ylethanone;N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]formamide.

What is the SMILES notation for methylsulfanylmethane;1-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-pyrrolidin-1-ylethanone;N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]formamide?

The canonical SMILES for methylsulfanylmethane;1-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-pyrrolidin-1-ylethanone;N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]formamide is CC(C)Oc1ccc(-c2n[nH]c3ccc(NC=O)cc23)cn1.CSC.Cn1cnc(-c2ccc(C3=CCN(C(=O)CN4CCCC4)CC3)cc2)n1.

What is the InChIKey of methylsulfanylmethane;1-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-pyrrolidin-1-ylethanone;N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]formamide?

The InChIKey is NVWHTRZIUNOEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O.C16H16N4O2.C2H6S/c1-23-15-21-20(22-23)18-6-4-16(5-7-18)17-8-12-25(13-9-17)19(26)14-24-10-2-3-11-24;1-10(2)22-15-6-3-11(8-17-15)16-13-7-12(18-9-21)4-5-14(13)19-20-16;1-3-2/h4-8,15H,2-3,9-14H2,1H3;3-10H,1-2H3,(H,18,21)(H,19,20);1-2H3.

What are the key properties of methylsulfanylmethane;1-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-pyrrolidin-1-ylethanone;N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]formamide?

methylsulfanylmethane;1-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-pyrrolidin-1-ylethanone;N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]formamide has a molecular weight of 709.92 g/mol, XLogP of 6.15, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methylsulfanylmethane;1-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-pyrrolidin-1-ylethanone;N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]formamide is sourced from PubChem (CID 143851914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).