2-methyl-8-[[(3S)-pyrrolidin-3-yl]amino]-5-[5-(trifluoromethyl)-2-pyridinyl]-2,7-naphthyridin-1-one

C19H18F3N5O — CID 170320260

IUPAC2-methyl-8-[[(3S)-pyrrolidin-3-yl]amino]-5-[5-(trifluoromethyl)-2-pyridinyl]-2,7-naphthyridin-1-one
SMILESCn1ccc2c(-c3ccc(C(F)(F)F)cn3)cnc(N[C@H]3CCNC3)c2c1=O
InChIInChI=1S/C19H18F3N5O/c1-27-7-5-13-14(15-3-2-11(8-24-15)19(20,21)22)10-25-17(16(13)18(27)28)26-12-4-6-23-9-12/h2-3,5,7-8,10,12,23H,4,6,9H2,1H3,(H,25,26)/t12-/m0/s1
InChIKeyPJAAJXARZBYNMG-LBPRGKRZSA-N
MW389.38 g/mol
LogP2.79
Rot. Bonds3

About 2-methyl-8-[[(3S)-pyrrolidin-3-yl]amino]-5-[5-(trifluoromethyl)-2-pyridinyl]-2,7-naphthyridin-1-one

2-methyl-8-[[(3S)-pyrrolidin-3-yl]amino]-5-[5-(trifluoromethyl)-2-pyridinyl]-2,7-naphthyridin-1-one (PubChem CID 170320260) has the molecular formula C19H18F3N5O and a molecular weight of 389.38 g/mol. Its IUPAC name is 2-methyl-8-[[(3S)-pyrrolidin-3-yl]amino]-5-[5-(trifluoromethyl)-2-pyridinyl]-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name2-methyl-8-[[(3S)-pyrrolidin-3-yl]amino]-5-[5-(trifluoromethyl)-2-pyridinyl]-2,7-naphthyridin-1-one
PubChem CID170320260
Molecular FormulaC19H18F3N5O
Molecular Weight389.38 g/mol
Exact Mass389.15
IUPAC Name2-methyl-8-[[(3S)-pyrrolidin-3-yl]amino]-5-[5-(trifluoromethyl)-2-pyridinyl]-2,7-naphthyridin-1-one
SMILESCn1ccc2c(-c3ccc(C(F)(F)F)cn3)cnc(N[C@H]3CCNC3)c2c1=O
InChIInChI=1S/C19H18F3N5O/c1-27-7-5-13-14(15-3-2-11(8-24-15)19(20,21)22)10-25-17(16(13)18(27)28)26-12-4-6-23-9-12/h2-3,5,7-8,10,12,23H,4,6,9H2,1H3,(H,25,26)/t12-/m0/s1
InChIKeyPJAAJXARZBYNMG-LBPRGKRZSA-N
XLogP2.79
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-[[(3S,4R)-4-hydroxyoxolan-3-yl]amino]-2-methyl-5-[4-(trifluoromethyl)phenyl]-2,7-naphthyridin-1-one
CID 170312582
N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 125498682
N-piperidin-4-yl-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56883354
1-tert-butyl-3-(pyrrolidin-3-ylamino)pyrazin-2-one
CID 62929010
3-methyl-5-[(3-methyl-2-oxopiperidin-4-yl)amino]-8-[4-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one
CID 169259193
N-piperidin-4-yl-5-(trifluoromethyl)pyridin-2-amine;trihydrochloride
CID 86276661
N-pyrrolidin-3-yl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 119453360
(3S)-3-[[8-[5-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-yl]amino]pyrrolidine-1-carboxylic acid
CID 170311448
N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 168827322
2-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine;hydrochloride
CID 171371651
N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 122441469
1-(9-methyl-1,2,3,4,4a,9a-hexahydropyrido[3,4-b]indol-7-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one
CID 70823061

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[[(3S)-pyrrolidin-3-yl]amino]-5-[5-(trifluoromethyl)-2-pyridinyl]-2,7-naphthyridin-1-one?
The IUPAC name of 2-methyl-8-[[(3S)-pyrrolidin-3-yl]amino]-5-[5-(trifluoromethyl)-2-pyridinyl]-2,7-naphthyridin-1-one (CID 170320260) is 2-methyl-8-[[(3S)-pyrrolidin-3-yl]amino]-5-[5-(trifluoromethyl)-2-pyridinyl]-2,7-naphthyridin-1-one.
What is the SMILES notation for 2-methyl-8-[[(3S)-pyrrolidin-3-yl]amino]-5-[5-(trifluoromethyl)-2-pyridinyl]-2,7-naphthyridin-1-one?
The canonical SMILES for 2-methyl-8-[[(3S)-pyrrolidin-3-yl]amino]-5-[5-(trifluoromethyl)-2-pyridinyl]-2,7-naphthyridin-1-one is Cn1ccc2c(-c3ccc(C(F)(F)F)cn3)cnc(N[C@H]3CCNC3)c2c1=O.
What is the InChIKey of 2-methyl-8-[[(3S)-pyrrolidin-3-yl]amino]-5-[5-(trifluoromethyl)-2-pyridinyl]-2,7-naphthyridin-1-one?
The InChIKey is PJAAJXARZBYNMG-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18F3N5O/c1-27-7-5-13-14(15-3-2-11(8-24-15)19(20,21)22)10-25-17(16(13)18(27)28)26-12-4-6-23-9-12/h2-3,5,7-8,10,12,23H,4,6,9H2,1H3,(H,25,26)/t12-/m0/s1.
What are the key properties of 2-methyl-8-[[(3S)-pyrrolidin-3-yl]amino]-5-[5-(trifluoromethyl)-2-pyridinyl]-2,7-naphthyridin-1-one?
2-methyl-8-[[(3S)-pyrrolidin-3-yl]amino]-5-[5-(trifluoromethyl)-2-pyridinyl]-2,7-naphthyridin-1-one has a molecular weight of 389.38 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[[(3S)-pyrrolidin-3-yl]amino]-5-[5-(trifluoromethyl)-2-pyridinyl]-2,7-naphthyridin-1-one is sourced from PubChem (CID 170320260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).