2-[2-[4-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methylamino]pyrido[2,3-d]pyrimidin-2-yl]phenyl]propan-2-ol

C27H30F3N7O — CID 172584107

IUPAC2-[2-[4-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methylamino]pyrido[2,3-d]pyrimidin-2-yl]phenyl]propan-2-ol
SMILESCn1cc(C(F)(F)F)nc1N1CCC(CNc2nc(-c3ccccc3C(C)(C)O)nc3ncccc23)CC1
InChIInChI=1S/C27H30F3N7O/c1-26(2,38)20-9-5-4-7-18(20)24-34-22-19(8-6-12-31-22)23(35-24)32-15-17-10-13-37(14-11-17)25-33-21(16-36(25)3)27(28,29)30/h4-9,12,16-17,38H,10-11,13-15H2,1-3H3,(H,31,32,34,35)
InChIKeyRVGJXNFETMJCMW-UHFFFAOYSA-N
MW525.58 g/mol
LogP5.00
Rot. Bonds6

About 2-[2-[4-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methylamino]pyrido[2,3-d]pyrimidin-2-yl]phenyl]propan-2-ol

2-[2-[4-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methylamino]pyrido[2,3-d]pyrimidin-2-yl]phenyl]propan-2-ol (PubChem CID 172584107) has the molecular formula C27H30F3N7O and a molecular weight of 525.58 g/mol. Its IUPAC name is 2-[2-[4-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methylamino]pyrido[2,3-d]pyrimidin-2-yl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[4-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methylamino]pyrido[2,3-d]pyrimidin-2-yl]phenyl]propan-2-ol
PubChem CID172584107
Molecular FormulaC27H30F3N7O
Molecular Weight525.58 g/mol
Exact Mass525.25
IUPAC Name2-[2-[4-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methylamino]pyrido[2,3-d]pyrimidin-2-yl]phenyl]propan-2-ol
SMILESCn1cc(C(F)(F)F)nc1N1CCC(CNc2nc(-c3ccccc3C(C)(C)O)nc3ncccc23)CC1
InChIInChI=1S/C27H30F3N7O/c1-26(2,38)20-9-5-4-7-18(20)24-34-22-19(8-6-12-31-22)23(35-24)32-15-17-10-13-37(14-11-17)25-33-21(16-36(25)3)27(28,29)30/h4-9,12,16-17,38H,10-11,13-15H2,1-3H3,(H,31,32,34,35)
InChIKeyRVGJXNFETMJCMW-UHFFFAOYSA-N
XLogP5.00
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.58
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[2-[4-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methylamino]pyrido[2,3-d]pyrimidin-2-yl]phenyl]propan-2-ol with MolForge

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Related Compounds

2-chloro-5-methoxy-N-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-amine
CID 175444724
2-chloro-N-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methyl]-5-nitropyrimidin-4-amine
CID 165135292
1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-ol
CID 172584100
N-[(4-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 63539836
2,2,2-trifluoro-1-[4-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]piperidin-1-yl]ethanone
CID 133346991
1-[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]ethanamine
CID 172584108
2-[(3-ethylazetidin-1-yl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 170371700
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 61011927
2-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]-1-[2-(trifluoromethyl)phenyl]ethanol
CID 72885248
N-[6-tert-butyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 10409409
2-(3-methylpiperidin-1-yl)-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 146234498
2-[4-[[(3-fluoro-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanol
CID 131891058

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methylamino]pyrido[2,3-d]pyrimidin-2-yl]phenyl]propan-2-ol?
The IUPAC name of 2-[2-[4-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methylamino]pyrido[2,3-d]pyrimidin-2-yl]phenyl]propan-2-ol (CID 172584107) is 2-[2-[4-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methylamino]pyrido[2,3-d]pyrimidin-2-yl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[2-[4-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methylamino]pyrido[2,3-d]pyrimidin-2-yl]phenyl]propan-2-ol?
The canonical SMILES for 2-[2-[4-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methylamino]pyrido[2,3-d]pyrimidin-2-yl]phenyl]propan-2-ol is Cn1cc(C(F)(F)F)nc1N1CCC(CNc2nc(-c3ccccc3C(C)(C)O)nc3ncccc23)CC1.
What is the InChIKey of 2-[2-[4-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methylamino]pyrido[2,3-d]pyrimidin-2-yl]phenyl]propan-2-ol?
The InChIKey is RVGJXNFETMJCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F3N7O/c1-26(2,38)20-9-5-4-7-18(20)24-34-22-19(8-6-12-31-22)23(35-24)32-15-17-10-13-37(14-11-17)25-33-21(16-36(25)3)27(28,29)30/h4-9,12,16-17,38H,10-11,13-15H2,1-3H3,(H,31,32,34,35).
What are the key properties of 2-[2-[4-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methylamino]pyrido[2,3-d]pyrimidin-2-yl]phenyl]propan-2-ol?
2-[2-[4-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methylamino]pyrido[2,3-d]pyrimidin-2-yl]phenyl]propan-2-ol has a molecular weight of 525.58 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methylamino]pyrido[2,3-d]pyrimidin-2-yl]phenyl]propan-2-ol is sourced from PubChem (CID 172584107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).