7-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-amine

C22H24F3N5 — CID 92630970

IUPAC7-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc([C@@H]3CCCN(CCCc4ccccc4)C3)cc(C(F)(F)F)c12
InChIInChI=1S/C22H24F3N5/c23-22(24,25)17-12-18(29-21-19(17)20(26)27-14-28-21)16-9-5-11-30(13-16)10-4-8-15-6-2-1-3-7-15/h1-3,6-7,12,14,16H,4-5,8-11,13H2,(H2,26,27,28,29)/t16-/m1/s1
InChIKeyWNQTVFCSSCSBNS-MRXNPFEDSA-N
MW415.46 g/mol
LogP4.44
Rot. Bonds5

About 7-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-amine

7-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 92630970) has the molecular formula C22H24F3N5 and a molecular weight of 415.46 g/mol. Its IUPAC name is 7-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID92630970
Molecular FormulaC22H24F3N5
Molecular Weight415.46 g/mol
Exact Mass415.20
IUPAC Name7-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc([C@@H]3CCCN(CCCc4ccccc4)C3)cc(C(F)(F)F)c12
InChIInChI=1S/C22H24F3N5/c23-22(24,25)17-12-18(29-21-19(17)20(26)27-14-28-21)16-9-5-11-30(13-16)10-4-8-15-6-2-1-3-7-15/h1-3,6-7,12,14,16H,4-5,8-11,13H2,(H2,26,27,28,29)/t16-/m1/s1
InChIKeyWNQTVFCSSCSBNS-MRXNPFEDSA-N
XLogP4.44
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-amine (CID 92630970) is 7-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-amine is Nc1ncnc2nc([C@@H]3CCCN(CCCc4ccccc4)C3)cc(C(F)(F)F)c12.
What is the InChIKey of 7-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is WNQTVFCSSCSBNS-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H24F3N5/c23-22(24,25)17-12-18(29-21-19(17)20(26)27-14-28-21)16-9-5-11-30(13-16)10-4-8-15-6-2-1-3-7-15/h1-3,6-7,12,14,16H,4-5,8-11,13H2,(H2,26,27,28,29)/t16-/m1/s1.
What are the key properties of 7-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-amine?
7-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 415.46 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 92630970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).