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

C24H20F2N4O2 — CID 164603443

IUPACN-[(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
SMILESCc1c[nH]c2nccc(-c3ccc(C(=O)N[C@H]4C[C@@H](C)Oc5ccc(F)c(F)c54)cn3)c12
InChIInChI=1S/C24H20F2N4O2/c1-12-10-29-23-20(12)15(7-8-27-23)17-5-3-14(11-28-17)24(31)30-18-9-13(2)32-19-6-4-16(25)22(26)21(18)19/h3-8,10-11,13,18H,9H2,1-2H3,(H,27,29)(H,30,31)/t13-,18+/m1/s1
InChIKeyYEAYJNBEUPGZDJ-ACJLOTCBSA-N
MW434.45 g/mol
LogP4.85
Rot. Bonds3

About 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

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 (PubChem CID 164603443) has the molecular formula C24H20F2N4O2 and a molecular weight of 434.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID164603443
Molecular FormulaC24H20F2N4O2
Molecular Weight434.45 g/mol
Exact Mass434.16
IUPAC NameN-[(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
SMILESCc1c[nH]c2nccc(-c3ccc(C(=O)N[C@H]4C[C@@H](C)Oc5ccc(F)c(F)c54)cn3)c12
InChIInChI=1S/C24H20F2N4O2/c1-12-10-29-23-20(12)15(7-8-27-23)17-5-3-14(11-28-17)24(31)30-18-9-13(2)32-19-6-4-16(25)22(26)21(18)19/h3-8,10-11,13,18H,9H2,1-2H3,(H,27,29)(H,30,31)/t13-,18+/m1/s1
InChIKeyYEAYJNBEUPGZDJ-ACJLOTCBSA-N
XLogP4.85
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c[nH]c2nccc(-c3ccc(C(=O)N[C@H]4C[C@@H](C)Oc5ccc(F)c(F)c54)cn3)c12.
What is the InChIKey of 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?
The InChIKey is YEAYJNBEUPGZDJ-ACJLOTCBSA-N. The full InChI is InChI=1S/C24H20F2N4O2/c1-12-10-29-23-20(12)15(7-8-27-23)17-5-3-14(11-28-17)24(31)30-18-9-13(2)32-19-6-4-16(25)22(26)21(18)19/h3-8,10-11,13,18H,9H2,1-2H3,(H,27,29)(H,30,31)/t13-,18+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 434.45 g/mol, XLogP of 4.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164603443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).