N-[(2R,3R,4R)-5,6-difluoro-3-hydroxy-2-methyl-3,4-dihydro-2H-chromen-4-yl]-6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide

C24H20F2N4O3 — CID 164603580

IUPACN-[(2R,3R,4R)-5,6-difluoro-3-hydroxy-2-methyl-3,4-dihydro-2H-chromen-4-yl]-6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
SMILESCc1c[nH]c2nccc(-c3ccc(C(=O)N[C@@H]4c5c(ccc(F)c5F)O[C@H](C)[C@@H]4O)cn3)c12
InChIInChI=1S/C24H20F2N4O3/c1-11-9-29-23-18(11)14(7-8-27-23)16-5-3-13(10-28-16)24(32)30-21-19-17(33-12(2)22(21)31)6-4-15(25)20(19)26/h3-10,12,21-22,31H,1-2H3,(H,27,29)(H,30,32)/t12-,21-,22+/m1/s1
InChIKeyYJNYIQXFVQQXSE-WLERDACDSA-N
MW450.45 g/mol
LogP3.82
Rot. Bonds3

About N-[(2R,3R,4R)-5,6-difluoro-3-hydroxy-2-methyl-3,4-dihydro-2H-chromen-4-yl]-6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide

N-[(2R,3R,4R)-5,6-difluoro-3-hydroxy-2-methyl-3,4-dihydro-2H-chromen-4-yl]-6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide (PubChem CID 164603580) has the molecular formula C24H20F2N4O3 and a molecular weight of 450.45 g/mol. Its IUPAC name is N-[(2R,3R,4R)-5,6-difluoro-3-hydroxy-2-methyl-3,4-dihydro-2H-chromen-4-yl]-6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R,3R,4R)-5,6-difluoro-3-hydroxy-2-methyl-3,4-dihydro-2H-chromen-4-yl]-6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
PubChem CID164603580
Molecular FormulaC24H20F2N4O3
Molecular Weight450.45 g/mol
Exact Mass450.15
IUPAC NameN-[(2R,3R,4R)-5,6-difluoro-3-hydroxy-2-methyl-3,4-dihydro-2H-chromen-4-yl]-6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
SMILESCc1c[nH]c2nccc(-c3ccc(C(=O)N[C@@H]4c5c(ccc(F)c5F)O[C@H](C)[C@@H]4O)cn3)c12
InChIInChI=1S/C24H20F2N4O3/c1-11-9-29-23-18(11)14(7-8-27-23)16-5-3-13(10-28-16)24(32)30-21-19-17(33-12(2)22(21)31)6-4-15(25)20(19)26/h3-10,12,21-22,31H,1-2H3,(H,27,29)(H,30,32)/t12-,21-,22+/m1/s1
InChIKeyYJNYIQXFVQQXSE-WLERDACDSA-N
XLogP3.82
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.45
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(2R,3R,4R)-5,6-difluoro-3-hydroxy-2-methyl-3,4-dihydro-2H-chromen-4-yl]-6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(2S,3S)-5,6-difluoro-3-hydroxy-2-methyl-3,4-dihydro-2H-chromen-4-yl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
CID 164603408
N-[(2R,4S)-5,6-difluoro-2-methyl-3,4-dihydro-2H-chromen-4-yl]-6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
CID 164603443
N-[(4S)-5,7-difluoro-3,4-dihydro-2H-chromen-4-yl]-6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
CID 171443168
N-[(1R,2R)-7-fluoro-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]-6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
CID 164603533
N-[(1R,2R)-7-chloro-2-[(3R)-3-methoxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]-6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
CID 164603357
N-[(1S,3S)-7-fluoro-3-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
CID 164603273
4-[6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-methyl-3-pyridinyl]-1,3,5-trimethylpiperidin-4-ol
CID 170614406
N-(7-fluoro-2,3-dihydro-1H-inden-1-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
CID 164603267
N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
CID 164603457
methyl 3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxylate
CID 124705864
4-fluoro-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-4-yl]benzamide
CID 70106182
4-fluoro-N-(3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-c]pyridin-4-yl)benzamide
CID 70106179

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4R)-5,6-difluoro-3-hydroxy-2-methyl-3,4-dihydro-2H-chromen-4-yl]-6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(2R,3R,4R)-5,6-difluoro-3-hydroxy-2-methyl-3,4-dihydro-2H-chromen-4-yl]-6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide (CID 164603580) is N-[(2R,3R,4R)-5,6-difluoro-3-hydroxy-2-methyl-3,4-dihydro-2H-chromen-4-yl]-6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R,3R,4R)-5,6-difluoro-3-hydroxy-2-methyl-3,4-dihydro-2H-chromen-4-yl]-6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2R,3R,4R)-5,6-difluoro-3-hydroxy-2-methyl-3,4-dihydro-2H-chromen-4-yl]-6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide is Cc1c[nH]c2nccc(-c3ccc(C(=O)N[C@@H]4c5c(ccc(F)c5F)O[C@H](C)[C@@H]4O)cn3)c12.
What is the InChIKey of N-[(2R,3R,4R)-5,6-difluoro-3-hydroxy-2-methyl-3,4-dihydro-2H-chromen-4-yl]-6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide?
The InChIKey is YJNYIQXFVQQXSE-WLERDACDSA-N. The full InChI is InChI=1S/C24H20F2N4O3/c1-11-9-29-23-18(11)14(7-8-27-23)16-5-3-13(10-28-16)24(32)30-21-19-17(33-12(2)22(21)31)6-4-15(25)20(19)26/h3-10,12,21-22,31H,1-2H3,(H,27,29)(H,30,32)/t12-,21-,22+/m1/s1.
What are the key properties of N-[(2R,3R,4R)-5,6-difluoro-3-hydroxy-2-methyl-3,4-dihydro-2H-chromen-4-yl]-6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide?
N-[(2R,3R,4R)-5,6-difluoro-3-hydroxy-2-methyl-3,4-dihydro-2H-chromen-4-yl]-6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide has a molecular weight of 450.45 g/mol, XLogP of 3.82, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4R)-5,6-difluoro-3-hydroxy-2-methyl-3,4-dihydro-2H-chromen-4-yl]-6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 164603580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).