[methoxymethyl(propyl)amino]-[[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]amino]oxymethanediol;N-[3-(2-propan-2-yloxy-4-pyridinyl)-2,3-dihydro-1H-indazol-5-yl]formamide

C36H48N10O6 — CID 143851908

About [methoxymethyl(propyl)amino]-[[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]amino]oxymethanediol;N-[3-(2-propan-2-yloxy-4-pyridinyl)-2,3-dihydro-1H-indazol-5-yl]formamide

[methoxymethyl(propyl)amino]-[[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]amino]oxymethanediol;N-[3-(2-propan-2-yloxy-4-pyridinyl)-2,3-dihydro-1H-indazol-5-yl]formamide (PubChem CID 143851908) has the molecular formula C36H48N10O6 and a molecular weight of 716.84 g/mol. Its IUPAC name is [methoxymethyl(propyl)amino]-[[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]amino]oxymethanediol;N-[3-(2-propan-2-yloxy-4-pyridinyl)-2,3-dihydro-1H-indazol-5-yl]formamide.

Molecular Properties

• Compound Name: [methoxymethyl(propyl)amino]-[[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]amino]oxymethanediol;N-[3-(2-propan-2-yloxy-4-pyridinyl)-2,3-dihydro-1H-indazol-5-yl]formamide
• PubChem CID: 143851908
• Molecular Formula: C36H48N10O6
• Molecular Weight: 716.84 g/mol
• Exact Mass: 716.38
• IUPAC Name: [methoxymethyl(propyl)amino]-[[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]amino]oxymethanediol;N-[3-(2-propan-2-yloxy-4-pyridinyl)-2,3-dihydro-1H-indazol-5-yl]formamide
• SMILES: CC(C)Oc1cc(C2NNc3ccc(NC=O)cc32)ccn1.CCCN(COC)C(O)(O)ONN1CC=C(c2ccc(-c3ncn(C)n3)cc2)CC1
• InChI: InChI=1S/C20H30N6O4.C16H18N4O2/c1-4-11-25(15-29-3)20(27,28)30-23-26-12-9-17(10-13-26)16-5-7-18(8-6-16)19-21-14-24(2)22-19;1-10(2)22-15-7-11(5-6-17-15)16-13-8-12(18-9-21)3-4-14(13)19-20-16/h5-9,14,23,27-28H,4,10-13,15H2,1-3H3;3-10,16,19-20H,1-2H3,(H,18,21)
• InChIKey: KMFHOVRKHPURJP-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 183.42 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	716.84
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of [methoxymethyl(propyl)amino]-[[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]amino]oxymethanediol;N-[3-(2-propan-2-yloxy-4-pyridinyl)-2,3-dihydro-1H-indazol-5-yl]formamide (CID 143851908) is [methoxymethyl(propyl)amino]-[[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]amino]oxymethanediol;N-[3-(2-propan-2-yloxy-4-pyridinyl)-2,3-dihydro-1H-indazol-5-yl]formamide.

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

The canonical SMILES for [methoxymethyl(propyl)amino]-[[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]amino]oxymethanediol;N-[3-(2-propan-2-yloxy-4-pyridinyl)-2,3-dihydro-1H-indazol-5-yl]formamide is CC(C)Oc1cc(C2NNc3ccc(NC=O)cc32)ccn1.CCCN(COC)C(O)(O)ONN1CC=C(c2ccc(-c3ncn(C)n3)cc2)CC1.

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

The InChIKey is KMFHOVRKHPURJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O4.C16H18N4O2/c1-4-11-25(15-29-3)20(27,28)30-23-26-12-9-17(10-13-26)16-5-7-18(8-6-16)19-21-14-24(2)22-19;1-10(2)22-15-7-11(5-6-17-15)16-13-8-12(18-9-21)3-4-14(13)19-20-16/h5-9,14,23,27-28H,4,10-13,15H2,1-3H3;3-10,16,19-20H,1-2H3,(H,18,21).

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

[methoxymethyl(propyl)amino]-[[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]amino]oxymethanediol;N-[3-(2-propan-2-yloxy-4-pyridinyl)-2,3-dihydro-1H-indazol-5-yl]formamide has a molecular weight of 716.84 g/mol, XLogP of 3.38, 15 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [methoxymethyl(propyl)amino]-[[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]amino]oxymethanediol;N-[3-(2-propan-2-yloxy-4-pyridinyl)-2,3-dihydro-1H-indazol-5-yl]formamide is sourced from PubChem (CID 143851908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).