N-but-1-en-2-yl-4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methyl-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide

C25H29N9O2 — CID 126683792

IUPACN-but-1-en-2-yl-4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methyl-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide
SMILESC=C(CC)NC(=O)c1nc(OC[C@H]2C[C@H]2C#N)nc(N2CCC(c3[nH]nc4nccc(C)c34)CC2)n1
InChIInChI=1S/C25H29N9O2/c1-4-15(3)28-23(35)22-29-24(31-25(30-22)36-13-18-11-17(18)12-26)34-9-6-16(7-10-34)20-19-14(2)5-8-27-21(19)33-32-20/h5,8,16-18H,3-4,6-7,9-11,13H2,1-2H3,(H,28,35)(H,27,32,33)/t17-,18+/m0/s1
InChIKeyJPJDOMMZHCLUTN-ZWKOTPCHSA-N
MW487.57 g/mol
LogP3.03
Rot. Bonds8

About N-but-1-en-2-yl-4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methyl-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide

N-but-1-en-2-yl-4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methyl-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide (PubChem CID 126683792) has the molecular formula C25H29N9O2 and a molecular weight of 487.57 g/mol. Its IUPAC name is N-but-1-en-2-yl-4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methyl-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound NameN-but-1-en-2-yl-4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methyl-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide
PubChem CID126683792
Molecular FormulaC25H29N9O2
Molecular Weight487.57 g/mol
Exact Mass487.24
IUPAC NameN-but-1-en-2-yl-4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methyl-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide
SMILESC=C(CC)NC(=O)c1nc(OC[C@H]2C[C@H]2C#N)nc(N2CCC(c3[nH]nc4nccc(C)c34)CC2)n1
InChIInChI=1S/C25H29N9O2/c1-4-15(3)28-23(35)22-29-24(31-25(30-22)36-13-18-11-17(18)12-26)34-9-6-16(7-10-34)20-19-14(2)5-8-27-21(19)33-32-20/h5,8,16-18H,3-4,6-7,9-11,13H2,1-2H3,(H,28,35)(H,27,32,33)/t17-,18+/m0/s1
InChIKeyJPJDOMMZHCLUTN-ZWKOTPCHSA-N
XLogP3.03
TPSA145.60 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.57
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-but-1-en-2-yl-4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methyl-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

cis-(1R,2S)-2-[[4-chloro-6-[4-(4-methyl-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile
CID 121409066
4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-2-methyl-1-bicyclo[1.1.1]pentanyl]-1,3,5-triazine-2-carboxamide
CID 126683794
N-(1-bicyclo[1.1.1]pentanyl)-4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide
CID 121409546
4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-(1-methylcyclobut-2-en-1-yl)-6-[4-(2H-pyrazolo[3,4-d]pyrimidin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide
CID 126683667
N-tert-butyl-4-[[(1S,2R)-2-methylcyclopropyl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide
CID 126683869
6-[1-[4-butanoyl-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]pyridine-2-carboxamide
CID 152867039
1-[[4-butanoyl-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile
CID 157092373
4-[4-(6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[[(1S)-2-cyanocyclopropyl]methoxy]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide
CID 126683903
N-(1-bicyclo[1.1.1]pentanyl)-4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide
CID 121409512
4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide
CID 121409100
2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-[1-(hydroxymethyl)cyclobutyl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide
CID 121409557
4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-1,3,5-triazine-2-carboxylic acid
CID 121409478

Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yl-4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methyl-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide?
The IUPAC name of N-but-1-en-2-yl-4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methyl-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide (CID 126683792) is N-but-1-en-2-yl-4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methyl-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for N-but-1-en-2-yl-4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methyl-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide?
The canonical SMILES for N-but-1-en-2-yl-4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methyl-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide is C=C(CC)NC(=O)c1nc(OC[C@H]2C[C@H]2C#N)nc(N2CCC(c3[nH]nc4nccc(C)c34)CC2)n1.
What is the InChIKey of N-but-1-en-2-yl-4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methyl-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide?
The InChIKey is JPJDOMMZHCLUTN-ZWKOTPCHSA-N. The full InChI is InChI=1S/C25H29N9O2/c1-4-15(3)28-23(35)22-29-24(31-25(30-22)36-13-18-11-17(18)12-26)34-9-6-16(7-10-34)20-19-14(2)5-8-27-21(19)33-32-20/h5,8,16-18H,3-4,6-7,9-11,13H2,1-2H3,(H,28,35)(H,27,32,33)/t17-,18+/m0/s1.
What are the key properties of N-but-1-en-2-yl-4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methyl-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide?
N-but-1-en-2-yl-4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methyl-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide has a molecular weight of 487.57 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-yl-4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(4-methyl-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 126683792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).