2-(pyrrolidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

C30H36F3N7 — CID 11786170

IUPAC2-(pyrrolidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCN1CCC(C)(C)c2ccc(Nc3nc(CN4CCCC4)nc4c3CCN(c3ncccc3C(F)(F)F)C4)cc21
InChIInChI=1S/C30H36F3N7/c1-29(2)11-16-38(3)25-17-20(8-9-22(25)29)35-27-21-10-15-40(28-23(30(31,32)33)7-6-12-34-28)18-24(21)36-26(37-27)19-39-13-4-5-14-39/h6-9,12,17H,4-5,10-11,13-16,18-19H2,1-3H3,(H,35,36,37)
InChIKeyBFXCUXIDCUGBRF-UHFFFAOYSA-N
MW551.66 g/mol
LogP5.91
Rot. Bonds5

About 2-(pyrrolidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

2-(pyrrolidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 11786170) has the molecular formula C30H36F3N7 and a molecular weight of 551.66 g/mol. Its IUPAC name is 2-(pyrrolidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(pyrrolidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
PubChem CID11786170
Molecular FormulaC30H36F3N7
Molecular Weight551.66 g/mol
Exact Mass551.30
IUPAC Name2-(pyrrolidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCN1CCC(C)(C)c2ccc(Nc3nc(CN4CCCC4)nc4c3CCN(c3ncccc3C(F)(F)F)C4)cc21
InChIInChI=1S/C30H36F3N7/c1-29(2)11-16-38(3)25-17-20(8-9-22(25)29)35-27-21-10-15-40(28-23(30(31,32)33)7-6-12-34-28)18-24(21)36-26(37-27)19-39-13-4-5-14-39/h6-9,12,17H,4-5,10-11,13-16,18-19H2,1-3H3,(H,35,36,37)
InChIKeyBFXCUXIDCUGBRF-UHFFFAOYSA-N
XLogP5.91
TPSA60.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.66
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(pyrrolidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(pyrrolidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 11786170) is 2-(pyrrolidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(pyrrolidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(pyrrolidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is CN1CCC(C)(C)c2ccc(Nc3nc(CN4CCCC4)nc4c3CCN(c3ncccc3C(F)(F)F)C4)cc21.
What is the InChIKey of 2-(pyrrolidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is BFXCUXIDCUGBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36F3N7/c1-29(2)11-16-38(3)25-17-20(8-9-22(25)29)35-27-21-10-15-40(28-23(30(31,32)33)7-6-12-34-28)18-24(21)36-26(37-27)19-39-13-4-5-14-39/h6-9,12,17H,4-5,10-11,13-16,18-19H2,1-3H3,(H,35,36,37).
What are the key properties of 2-(pyrrolidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
2-(pyrrolidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 551.66 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 11786170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).