5-[(1-tert-butylpiperidin-3-yl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide

C25H35N7O3 — CID 71014860

IUPAC5-[(1-tert-butylpiperidin-3-yl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide
SMILESCOc1cc(Nc2nc(NCC3CCCN(C(C)(C)C)C3)n3ccnc3c2C(N)=O)cc(OC)c1
InChIInChI=1S/C25H35N7O3/c1-25(2,3)31-9-6-7-16(15-31)14-28-24-30-22(20(21(26)33)23-27-8-10-32(23)24)29-17-11-18(34-4)13-19(12-17)35-5/h8,10-13,16,29H,6-7,9,14-15H2,1-5H3,(H2,26,33)(H,28,30)
InChIKeyDAGWMTYEGGVJOL-UHFFFAOYSA-N
MW481.60 g/mol
LogP3.51
Rot. Bonds8

About 5-[(1-tert-butylpiperidin-3-yl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide

5-[(1-tert-butylpiperidin-3-yl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide (PubChem CID 71014860) has the molecular formula C25H35N7O3 and a molecular weight of 481.60 g/mol. Its IUPAC name is 5-[(1-tert-butylpiperidin-3-yl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name5-[(1-tert-butylpiperidin-3-yl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide
PubChem CID71014860
Molecular FormulaC25H35N7O3
Molecular Weight481.60 g/mol
Exact Mass481.28
IUPAC Name5-[(1-tert-butylpiperidin-3-yl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide
SMILESCOc1cc(Nc2nc(NCC3CCCN(C(C)(C)C)C3)n3ccnc3c2C(N)=O)cc(OC)c1
InChIInChI=1S/C25H35N7O3/c1-25(2,3)31-9-6-7-16(15-31)14-28-24-30-22(20(21(26)33)23-27-8-10-32(23)24)29-17-11-18(34-4)13-19(12-17)35-5/h8,10-13,16,29H,6-7,9,14-15H2,1-5H3,(H2,26,33)(H,28,30)
InChIKeyDAGWMTYEGGVJOL-UHFFFAOYSA-N
XLogP3.51
TPSA119.04 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

5-(2-aminoethylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide
CID 25138153
5-[[1-(2-cyanoacetyl)piperidin-4-yl]-methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide
CID 71015571
tert-butyl N-[(1R,2S)-2-[[8-carbamoyl-7-[3-methoxy-5-[2-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]anilino]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclohexyl]carbamate
CID 138695805
5-[(2-amino-2-oxoethyl)amino]-7-(3,5-dimethoxyanilino)-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxamide
CID 139997974
5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-(3,5-dimethylanilino)imidazo[1,2-c]pyrimidine-8-carboxamide
CID 44589051
5,7-bis(3,5-dimethoxyanilino)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
CID 139997980
5-[[(2R)-2-aminocyclohexyl]amino]-7-(3,5-dimethoxyanilino)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
CID 44565681
7-[(2-amino-2-methylpropyl)amino]-2-(3,5-dimethoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 16743447
5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-[4-[2-[2-[2-[2-[[(2S)-1-[(2R,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]-3,5-dimethoxyanilino]imidazo[1,2-c]pyrimidine-8-carboxamide
CID 170093933
2-(3,5-dimethoxyanilino)-5-fluoro-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 141315242
6-(4-methoxyanilino)-4-[[(3R)-1-methylsulfonylpiperidin-3-yl]methylamino]pyridine-3-carboxamide
CID 67501308
tert-butyl N-[[1-[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperidin-4-yl]methyl]carbamate
CID 150914196

Frequently Asked Questions

What is the IUPAC name of 5-[(1-tert-butylpiperidin-3-yl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide?
The IUPAC name of 5-[(1-tert-butylpiperidin-3-yl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide (CID 71014860) is 5-[(1-tert-butylpiperidin-3-yl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide.
What is the SMILES notation for 5-[(1-tert-butylpiperidin-3-yl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide?
The canonical SMILES for 5-[(1-tert-butylpiperidin-3-yl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide is COc1cc(Nc2nc(NCC3CCCN(C(C)(C)C)C3)n3ccnc3c2C(N)=O)cc(OC)c1.
What is the InChIKey of 5-[(1-tert-butylpiperidin-3-yl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide?
The InChIKey is DAGWMTYEGGVJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N7O3/c1-25(2,3)31-9-6-7-16(15-31)14-28-24-30-22(20(21(26)33)23-27-8-10-32(23)24)29-17-11-18(34-4)13-19(12-17)35-5/h8,10-13,16,29H,6-7,9,14-15H2,1-5H3,(H2,26,33)(H,28,30).
What are the key properties of 5-[(1-tert-butylpiperidin-3-yl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide?
5-[(1-tert-butylpiperidin-3-yl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide has a molecular weight of 481.60 g/mol, XLogP of 3.51, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-tert-butylpiperidin-3-yl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide is sourced from PubChem (CID 71014860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).