(1R)-2,2-difluoro-N-[5-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]imidazo[2,1-a][2,6]naphthyridin-9-yl]cyclopropane-1-carboxamide

C23H21F2N5O2 — CID 170967782

IUPAC(1R)-2,2-difluoro-N-[5-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]imidazo[2,1-a][2,6]naphthyridin-9-yl]cyclopropane-1-carboxamide
SMILESCC[C@H](O)c1cc(C)c(-c2cc3cnc(NC(=O)[C@H]4CC4(F)F)cc3c3nccn23)cn1
InChIInChI=1S/C23H21F2N5O2/c1-3-19(31)17-6-12(2)15(11-27-17)18-7-13-10-28-20(29-22(32)16-9-23(16,24)25)8-14(13)21-26-4-5-30(18)21/h4-8,10-11,16,19,31H,3,9H2,1-2H3,(H,28,29,32)/t16-,19+/m1/s1
InChIKeyGRVROMZGRNBGGI-APWZRJJASA-N
MW437.45 g/mol
LogP4.29
Rot. Bonds5

About (1R)-2,2-difluoro-N-[5-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]imidazo[2,1-a][2,6]naphthyridin-9-yl]cyclopropane-1-carboxamide

(1R)-2,2-difluoro-N-[5-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]imidazo[2,1-a][2,6]naphthyridin-9-yl]cyclopropane-1-carboxamide (PubChem CID 170967782) has the molecular formula C23H21F2N5O2 and a molecular weight of 437.45 g/mol. Its IUPAC name is (1R)-2,2-difluoro-N-[5-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]imidazo[2,1-a][2,6]naphthyridin-9-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2,2-difluoro-N-[5-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]imidazo[2,1-a][2,6]naphthyridin-9-yl]cyclopropane-1-carboxamide
PubChem CID170967782
Molecular FormulaC23H21F2N5O2
Molecular Weight437.45 g/mol
Exact Mass437.17
IUPAC Name(1R)-2,2-difluoro-N-[5-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]imidazo[2,1-a][2,6]naphthyridin-9-yl]cyclopropane-1-carboxamide
SMILESCC[C@H](O)c1cc(C)c(-c2cc3cnc(NC(=O)[C@H]4CC4(F)F)cc3c3nccn23)cn1
InChIInChI=1S/C23H21F2N5O2/c1-3-19(31)17-6-12(2)15(11-27-17)18-7-13-10-28-20(29-22(32)16-9-23(16,24)25)8-14(13)21-26-4-5-30(18)21/h4-8,10-11,16,19,31H,3,9H2,1-2H3,(H,28,29,32)/t16-,19+/m1/s1
InChIKeyGRVROMZGRNBGGI-APWZRJJASA-N
XLogP4.29
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-difluoro-N-[5-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]imidazo[2,1-a][2,6]naphthyridin-9-yl]cyclopropane-1-carboxamide?
The IUPAC name of (1R)-2,2-difluoro-N-[5-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]imidazo[2,1-a][2,6]naphthyridin-9-yl]cyclopropane-1-carboxamide (CID 170967782) is (1R)-2,2-difluoro-N-[5-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]imidazo[2,1-a][2,6]naphthyridin-9-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-2,2-difluoro-N-[5-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]imidazo[2,1-a][2,6]naphthyridin-9-yl]cyclopropane-1-carboxamide?
The canonical SMILES for (1R)-2,2-difluoro-N-[5-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]imidazo[2,1-a][2,6]naphthyridin-9-yl]cyclopropane-1-carboxamide is CC[C@H](O)c1cc(C)c(-c2cc3cnc(NC(=O)[C@H]4CC4(F)F)cc3c3nccn23)cn1.
What is the InChIKey of (1R)-2,2-difluoro-N-[5-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]imidazo[2,1-a][2,6]naphthyridin-9-yl]cyclopropane-1-carboxamide?
The InChIKey is GRVROMZGRNBGGI-APWZRJJASA-N. The full InChI is InChI=1S/C23H21F2N5O2/c1-3-19(31)17-6-12(2)15(11-27-17)18-7-13-10-28-20(29-22(32)16-9-23(16,24)25)8-14(13)21-26-4-5-30(18)21/h4-8,10-11,16,19,31H,3,9H2,1-2H3,(H,28,29,32)/t16-,19+/m1/s1.
What are the key properties of (1R)-2,2-difluoro-N-[5-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]imidazo[2,1-a][2,6]naphthyridin-9-yl]cyclopropane-1-carboxamide?
(1R)-2,2-difluoro-N-[5-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]imidazo[2,1-a][2,6]naphthyridin-9-yl]cyclopropane-1-carboxamide has a molecular weight of 437.45 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-difluoro-N-[5-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]imidazo[2,1-a][2,6]naphthyridin-9-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 170967782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).