trans-(1S,2S)-N-[6-(5-amino-4-methyl-3-pyridinyl)-8-propan-2-yl-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide

C22H22F3N5O — CID 162609601

IUPACtrans-(1S,2S)-N-[6-(5-amino-4-methyl-3-pyridinyl)-8-propan-2-yl-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCc1c(N)cncc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3C(F)(F)F)ncc2c(C(C)C)n1
InChIInChI=1S/C22H22F3N5O/c1-10(2)20-15-8-28-19(30-21(31)13-6-16(13)22(23,24)25)5-12(15)4-18(29-20)14-7-27-9-17(26)11(14)3/h4-5,7-10,13,16H,6,26H2,1-3H3,(H,28,30,31)/t13-,16-/m0/s1
InChIKeyKHWUBXUQFVTLND-BBRMVZONSA-N
MW429.45 g/mol
LogP4.84
Rot. Bonds4

About trans-(1S,2S)-N-[6-(5-amino-4-methyl-3-pyridinyl)-8-propan-2-yl-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide

trans-(1S,2S)-N-[6-(5-amino-4-methyl-3-pyridinyl)-8-propan-2-yl-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 162609601) has the molecular formula C22H22F3N5O and a molecular weight of 429.45 g/mol. Its IUPAC name is trans-(1S,2S)-N-[6-(5-amino-4-methyl-3-pyridinyl)-8-propan-2-yl-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[6-(5-amino-4-methyl-3-pyridinyl)-8-propan-2-yl-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
PubChem CID162609601
Molecular FormulaC22H22F3N5O
Molecular Weight429.45 g/mol
Exact Mass429.18
IUPAC Nametrans-(1S,2S)-N-[6-(5-amino-4-methyl-3-pyridinyl)-8-propan-2-yl-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCc1c(N)cncc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3C(F)(F)F)ncc2c(C(C)C)n1
InChIInChI=1S/C22H22F3N5O/c1-10(2)20-15-8-28-19(30-21(31)13-6-16(13)22(23,24)25)5-12(15)4-18(29-20)14-7-27-9-17(26)11(14)3/h4-5,7-10,13,16H,6,26H2,1-3H3,(H,28,30,31)/t13-,16-/m0/s1
InChIKeyKHWUBXUQFVTLND-BBRMVZONSA-N
XLogP4.84
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze trans-(1S,2S)-N-[6-(5-amino-4-methyl-3-pyridinyl)-8-propan-2-yl-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[6-(5-amino-4-methyl-3-pyridinyl)-8-propan-2-yl-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[6-(5-amino-4-methyl-3-pyridinyl)-8-propan-2-yl-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide (CID 162609601) is trans-(1S,2S)-N-[6-(5-amino-4-methyl-3-pyridinyl)-8-propan-2-yl-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[6-(5-amino-4-methyl-3-pyridinyl)-8-propan-2-yl-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[6-(5-amino-4-methyl-3-pyridinyl)-8-propan-2-yl-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide is Cc1c(N)cncc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3C(F)(F)F)ncc2c(C(C)C)n1.
What is the InChIKey of trans-(1S,2S)-N-[6-(5-amino-4-methyl-3-pyridinyl)-8-propan-2-yl-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is KHWUBXUQFVTLND-BBRMVZONSA-N. The full InChI is InChI=1S/C22H22F3N5O/c1-10(2)20-15-8-28-19(30-21(31)13-6-16(13)22(23,24)25)5-12(15)4-18(29-20)14-7-27-9-17(26)11(14)3/h4-5,7-10,13,16H,6,26H2,1-3H3,(H,28,30,31)/t13-,16-/m0/s1.
What are the key properties of trans-(1S,2S)-N-[6-(5-amino-4-methyl-3-pyridinyl)-8-propan-2-yl-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?
trans-(1S,2S)-N-[6-(5-amino-4-methyl-3-pyridinyl)-8-propan-2-yl-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 429.45 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[6-(5-amino-4-methyl-3-pyridinyl)-8-propan-2-yl-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 162609601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).