4-[4-[[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-N-ethyl-1,3,5-triazine-2-carboxamide

C25H31F2N9O3 — CID 121409498

IUPAC4-[4-[[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-N-ethyl-1,3,5-triazine-2-carboxamide
SMILESCCNC(=O)c1nc(OCC2CC2(F)F)nc(N2CCC(COc3cc(-c4cnn(C)c4)cnc3N)CC2)n1
InChIInChI=1S/C25H31F2N9O3/c1-3-29-22(37)21-32-23(34-24(33-21)39-14-18-9-25(18,26)27)36-6-4-15(5-7-36)13-38-19-8-16(10-30-20(19)28)17-11-31-35(2)12-17/h8,10-12,15,18H,3-7,9,13-14H2,1-2H3,(H2,28,30)(H,29,37)
InChIKeySXGWTGKASAMKKC-UHFFFAOYSA-N
MW543.58 g/mol
LogP2.33
Rot. Bonds10

About 4-[4-[[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-N-ethyl-1,3,5-triazine-2-carboxamide

4-[4-[[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-N-ethyl-1,3,5-triazine-2-carboxamide (PubChem CID 121409498) has the molecular formula C25H31F2N9O3 and a molecular weight of 543.58 g/mol. Its IUPAC name is 4-[4-[[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-N-ethyl-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-N-ethyl-1,3,5-triazine-2-carboxamide
PubChem CID121409498
Molecular FormulaC25H31F2N9O3
Molecular Weight543.58 g/mol
Exact Mass543.25
IUPAC Name4-[4-[[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-N-ethyl-1,3,5-triazine-2-carboxamide
SMILESCCNC(=O)c1nc(OCC2CC2(F)F)nc(N2CCC(COc3cc(-c4cnn(C)c4)cnc3N)CC2)n1
InChIInChI=1S/C25H31F2N9O3/c1-3-29-22(37)21-32-23(34-24(33-21)39-14-18-9-25(18,26)27)36-6-4-15(5-7-36)13-38-19-8-16(10-30-20(19)28)17-11-31-35(2)12-17/h8,10-12,15,18H,3-7,9,13-14H2,1-2H3,(H2,28,30)(H,29,37)
InChIKeySXGWTGKASAMKKC-UHFFFAOYSA-N
XLogP2.33
TPSA146.20 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.58
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 4-[4-[[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-N-ethyl-1,3,5-triazine-2-carboxamide with MolForge

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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypyridin-3-yl)pyrimidin-4-yl]-2-(morpholin-4-yl)acetamide
CID 25138081
2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
CID 71611462
US9593097, Example 178
CID 121409164
US9593097, Example 223
CID 121409037
US9593097, Example 246
CID 121409058
US9593097, Example 279
CID 121409238
US9593097, Example 300
CID 121409465
US9593097, Example 290
CID 121409511
Axl-IN-15
CID 121409518
US9593097, Example 301
CID 121409523
US9593097, Example 219
CID 121409533
US9593097, Example 291
CID 121409552

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-N-ethyl-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4-[4-[[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-N-ethyl-1,3,5-triazine-2-carboxamide (CID 121409498) is 4-[4-[[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-N-ethyl-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4-[4-[[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-N-ethyl-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4-[4-[[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-N-ethyl-1,3,5-triazine-2-carboxamide is CCNC(=O)c1nc(OCC2CC2(F)F)nc(N2CCC(COc3cc(-c4cnn(C)c4)cnc3N)CC2)n1.
What is the InChIKey of 4-[4-[[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-N-ethyl-1,3,5-triazine-2-carboxamide?
The InChIKey is SXGWTGKASAMKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F2N9O3/c1-3-29-22(37)21-32-23(34-24(33-21)39-14-18-9-25(18,26)27)36-6-4-15(5-7-36)13-38-19-8-16(10-30-20(19)28)17-11-31-35(2)12-17/h8,10-12,15,18H,3-7,9,13-14H2,1-2H3,(H2,28,30)(H,29,37).
What are the key properties of 4-[4-[[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-N-ethyl-1,3,5-triazine-2-carboxamide?
4-[4-[[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-N-ethyl-1,3,5-triazine-2-carboxamide has a molecular weight of 543.58 g/mol, XLogP of 2.33, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-N-ethyl-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 121409498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).