1-[4-(1H-indazol-5-ylamino)-6-methoxy-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide

C18H22N8O2 — CID 10110436

IUPAC1-[4-(1H-indazol-5-ylamino)-6-methoxy-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2nc(Nc3ccc4[nH]ncc4c3)nc(OC)n2)CC1
InChIInChI=1S/C18H22N8O2/c1-19-15(27)11-5-7-26(8-6-11)17-22-16(23-18(24-17)28-2)21-13-3-4-14-12(9-13)10-20-25-14/h3-4,9-11H,5-8H2,1-2H3,(H,19,27)(H,20,25)(H,21,22,23,24)
InChIKeyMJXOITFZDZMCOI-UHFFFAOYSA-N
MW382.43 g/mol
LogP1.46
Rot. Bonds5

About 1-[4-(1H-indazol-5-ylamino)-6-methoxy-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide

1-[4-(1H-indazol-5-ylamino)-6-methoxy-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide (PubChem CID 10110436) has the molecular formula C18H22N8O2 and a molecular weight of 382.43 g/mol. Its IUPAC name is 1-[4-(1H-indazol-5-ylamino)-6-methoxy-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(1H-indazol-5-ylamino)-6-methoxy-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide
PubChem CID10110436
Molecular FormulaC18H22N8O2
Molecular Weight382.43 g/mol
Exact Mass382.19
IUPAC Name1-[4-(1H-indazol-5-ylamino)-6-methoxy-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2nc(Nc3ccc4[nH]ncc4c3)nc(OC)n2)CC1
InChIInChI=1S/C18H22N8O2/c1-19-15(27)11-5-7-26(8-6-11)17-22-16(23-18(24-17)28-2)21-13-3-4-14-12(9-13)10-20-25-14/h3-4,9-11H,5-8H2,1-2H3,(H,19,27)(H,20,25)(H,21,22,23,24)
InChIKeyMJXOITFZDZMCOI-UHFFFAOYSA-N
XLogP1.46
TPSA120.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-indazol-5-ylamino)-6-methoxy-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[4-(1H-indazol-5-ylamino)-6-methoxy-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide (CID 10110436) is 1-[4-(1H-indazol-5-ylamino)-6-methoxy-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(1H-indazol-5-ylamino)-6-methoxy-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[4-(1H-indazol-5-ylamino)-6-methoxy-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(c2nc(Nc3ccc4[nH]ncc4c3)nc(OC)n2)CC1.
What is the InChIKey of 1-[4-(1H-indazol-5-ylamino)-6-methoxy-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide?
The InChIKey is MJXOITFZDZMCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O2/c1-19-15(27)11-5-7-26(8-6-11)17-22-16(23-18(24-17)28-2)21-13-3-4-14-12(9-13)10-20-25-14/h3-4,9-11H,5-8H2,1-2H3,(H,19,27)(H,20,25)(H,21,22,23,24).
What are the key properties of 1-[4-(1H-indazol-5-ylamino)-6-methoxy-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide?
1-[4-(1H-indazol-5-ylamino)-6-methoxy-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide has a molecular weight of 382.43 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-indazol-5-ylamino)-6-methoxy-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 10110436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).