6-[4-[[2-amino-5-(1,5-dimethyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide

C26H37N9O4 — CID 121408998

IUPAC6-[4-[[2-amino-5-(1,5-dimethyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide
SMILESCCNC(=O)c1cc(N2CCC(COc3cc(-c4nnn(C)c4C)cnc3N)CC2)nc(O[C@H](C)COC)n1
InChIInChI=1S/C26H37N9O4/c1-6-28-25(36)20-12-22(31-26(30-20)39-16(2)14-37-5)35-9-7-18(8-10-35)15-38-21-11-19(13-29-24(21)27)23-17(3)34(4)33-32-23/h11-13,16,18H,6-10,14-15H2,1-5H3,(H2,27,29)(H,28,36)/t16-/m1/s1
InChIKeyRXWSIHWUBWEDIV-MRXNPFEDSA-N
MW539.64 g/mol
LogP2.02
Rot. Bonds11

About 6-[4-[[2-amino-5-(1,5-dimethyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide

6-[4-[[2-amino-5-(1,5-dimethyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide (PubChem CID 121408998) has the molecular formula C26H37N9O4 and a molecular weight of 539.64 g/mol. Its IUPAC name is 6-[4-[[2-amino-5-(1,5-dimethyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[4-[[2-amino-5-(1,5-dimethyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide
PubChem CID121408998
Molecular FormulaC26H37N9O4
Molecular Weight539.64 g/mol
Exact Mass539.30
IUPAC Name6-[4-[[2-amino-5-(1,5-dimethyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide
SMILESCCNC(=O)c1cc(N2CCC(COc3cc(-c4nnn(C)c4C)cnc3N)CC2)nc(O[C@H](C)COC)n1
InChIInChI=1S/C26H37N9O4/c1-6-28-25(36)20-12-22(31-26(30-20)39-16(2)14-37-5)35-9-7-18(8-10-35)15-38-21-11-19(13-29-24(21)27)23-17(3)34(4)33-32-23/h11-13,16,18H,6-10,14-15H2,1-5H3,(H2,27,29)(H,28,36)/t16-/m1/s1
InChIKeyRXWSIHWUBWEDIV-MRXNPFEDSA-N
XLogP2.02
TPSA155.43 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.64
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 6-[4-[[2-amino-5-(1,5-dimethyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-[[2-amino-5-(1,5-dimethyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[[(1S,2R)-2-methanimidoylcyclopropyl]methoxy]pyrimidine-4-carboxamide
CID 121426664
6-[4-(3-amino-1,6-dimethylindazol-4-yl)oxypiperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide
CID 121409147
3-[[1-[6-chloro-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]piperidin-4-yl]methoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine
CID 121409227
5-(1,5-dimethyltriazol-4-yl)-3-(piperidin-4-ylmethoxy)pyridin-2-amine
CID 121409172
6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1R)-2,2-difluorocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide
CID 121409186
6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S)-2,2-difluorocyclopropyl]methoxy]pyrimidine-4-carboxamide
CID 145103441
cis-(1R,2S)-2-[[4-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-butanoylpyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile
CID 159339687
6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-(2,2-difluoropropyl)pyrimidine-4-carboxamide
CID 121409480
[4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-6-[(1,1,1-trifluoro-4-hydroxybutan-2-yl)carbamoyl]pyrimidin-2-yl]oxymethyl cyanate
CID 126683916
4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-N-propan-2-yl-1,3,5-triazine-2-carboxamide;(3,3-difluoroazetidin-1-yl)-[2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-4-yl]methanone;[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-[2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]methanone;(3-hydroxyazetidin-1-yl)-[2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]methanone
CID 158262665
6-[1-[6-(2-cyclobutylacetyl)-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]piperidin-4-yl]-5-[2-(dimethylamino)ethoxy]pyridine-2-carboxamide
CID 140726378
6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-2-[[(1S)-2-cyanocyclopropyl]methoxy]pyrimidine-4-carboxamide
CID 121426715

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[2-amino-5-(1,5-dimethyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide?
The IUPAC name of 6-[4-[[2-amino-5-(1,5-dimethyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide (CID 121408998) is 6-[4-[[2-amino-5-(1,5-dimethyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide.
What is the SMILES notation for 6-[4-[[2-amino-5-(1,5-dimethyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide?
The canonical SMILES for 6-[4-[[2-amino-5-(1,5-dimethyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide is CCNC(=O)c1cc(N2CCC(COc3cc(-c4nnn(C)c4C)cnc3N)CC2)nc(O[C@H](C)COC)n1.
What is the InChIKey of 6-[4-[[2-amino-5-(1,5-dimethyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide?
The InChIKey is RXWSIHWUBWEDIV-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H37N9O4/c1-6-28-25(36)20-12-22(31-26(30-20)39-16(2)14-37-5)35-9-7-18(8-10-35)15-38-21-11-19(13-29-24(21)27)23-17(3)34(4)33-32-23/h11-13,16,18H,6-10,14-15H2,1-5H3,(H2,27,29)(H,28,36)/t16-/m1/s1.
What are the key properties of 6-[4-[[2-amino-5-(1,5-dimethyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide?
6-[4-[[2-amino-5-(1,5-dimethyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide has a molecular weight of 539.64 g/mol, XLogP of 2.02, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[2-amino-5-(1,5-dimethyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide is sourced from PubChem (CID 121408998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).