6-[2-chloro-4-[6-(trifluoromethyl)pyrimidin-4-yl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7H-pyrido[2,3-d]pyrimidin-7-ol

C32H31ClF3N7O — CID 163909041

IUPAC6-[2-chloro-4-[6-(trifluoromethyl)pyrimidin-4-yl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7H-pyrido[2,3-d]pyrimidin-7-ol
SMILESCCN1c2nc(Nc3ccc(C4CCN(C)CC4)cc3)ncc2C=C(c2ccc(-c3cc(C(F)(F)F)ncn3)cc2Cl)C1O
InChIInChI=1S/C32H31ClF3N7O/c1-3-43-29-22(17-37-31(41-29)40-23-7-4-19(5-8-23)20-10-12-42(2)13-11-20)14-25(30(43)44)24-9-6-21(15-26(24)33)27-16-28(32(34,35)36)39-18-38-27/h4-9,14-18,20,30,44H,3,10-13H2,1-2H3,(H,37,40,41)
InChIKeyQQMFEWAUPDPGJO-UHFFFAOYSA-N
MW622.10 g/mol
LogP6.86
Rot. Bonds6

About 6-[2-chloro-4-[6-(trifluoromethyl)pyrimidin-4-yl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7H-pyrido[2,3-d]pyrimidin-7-ol

6-[2-chloro-4-[6-(trifluoromethyl)pyrimidin-4-yl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7H-pyrido[2,3-d]pyrimidin-7-ol (PubChem CID 163909041) has the molecular formula C32H31ClF3N7O and a molecular weight of 622.10 g/mol. Its IUPAC name is 6-[2-chloro-4-[6-(trifluoromethyl)pyrimidin-4-yl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7H-pyrido[2,3-d]pyrimidin-7-ol.

Molecular Properties

Compound Name6-[2-chloro-4-[6-(trifluoromethyl)pyrimidin-4-yl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7H-pyrido[2,3-d]pyrimidin-7-ol
PubChem CID163909041
Molecular FormulaC32H31ClF3N7O
Molecular Weight622.10 g/mol
Exact Mass621.22
IUPAC Name6-[2-chloro-4-[6-(trifluoromethyl)pyrimidin-4-yl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7H-pyrido[2,3-d]pyrimidin-7-ol
SMILESCCN1c2nc(Nc3ccc(C4CCN(C)CC4)cc3)ncc2C=C(c2ccc(-c3cc(C(F)(F)F)ncn3)cc2Cl)C1O
InChIInChI=1S/C32H31ClF3N7O/c1-3-43-29-22(17-37-31(41-29)40-23-7-4-19(5-8-23)20-10-12-42(2)13-11-20)14-25(30(43)44)24-9-6-21(15-26(24)33)27-16-28(32(34,35)36)39-18-38-27/h4-9,14-18,20,30,44H,3,10-13H2,1-2H3,(H,37,40,41)
InChIKeyQQMFEWAUPDPGJO-UHFFFAOYSA-N
XLogP6.86
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.10
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[2-chloro-4-[6-(trifluoromethyl)pyrimidin-4-yl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7H-pyrido[2,3-d]pyrimidin-7-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-4-[6-(trifluoromethyl)pyrimidin-4-yl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7H-pyrido[2,3-d]pyrimidin-7-ol?
The IUPAC name of 6-[2-chloro-4-[6-(trifluoromethyl)pyrimidin-4-yl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7H-pyrido[2,3-d]pyrimidin-7-ol (CID 163909041) is 6-[2-chloro-4-[6-(trifluoromethyl)pyrimidin-4-yl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7H-pyrido[2,3-d]pyrimidin-7-ol.
What is the SMILES notation for 6-[2-chloro-4-[6-(trifluoromethyl)pyrimidin-4-yl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7H-pyrido[2,3-d]pyrimidin-7-ol?
The canonical SMILES for 6-[2-chloro-4-[6-(trifluoromethyl)pyrimidin-4-yl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7H-pyrido[2,3-d]pyrimidin-7-ol is CCN1c2nc(Nc3ccc(C4CCN(C)CC4)cc3)ncc2C=C(c2ccc(-c3cc(C(F)(F)F)ncn3)cc2Cl)C1O.
What is the InChIKey of 6-[2-chloro-4-[6-(trifluoromethyl)pyrimidin-4-yl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7H-pyrido[2,3-d]pyrimidin-7-ol?
The InChIKey is QQMFEWAUPDPGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31ClF3N7O/c1-3-43-29-22(17-37-31(41-29)40-23-7-4-19(5-8-23)20-10-12-42(2)13-11-20)14-25(30(43)44)24-9-6-21(15-26(24)33)27-16-28(32(34,35)36)39-18-38-27/h4-9,14-18,20,30,44H,3,10-13H2,1-2H3,(H,37,40,41).
What are the key properties of 6-[2-chloro-4-[6-(trifluoromethyl)pyrimidin-4-yl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7H-pyrido[2,3-d]pyrimidin-7-ol?
6-[2-chloro-4-[6-(trifluoromethyl)pyrimidin-4-yl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7H-pyrido[2,3-d]pyrimidin-7-ol has a molecular weight of 622.10 g/mol, XLogP of 6.86, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-4-[6-(trifluoromethyl)pyrimidin-4-yl]phenyl]-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7H-pyrido[2,3-d]pyrimidin-7-ol is sourced from PubChem (CID 163909041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).