6-[1-[(1S)-1-[4-(4-amino-3-fluoro-2-oxo-1-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N-dimethylpyridine-3-carboxamide

C28H30FN7O2 — CID 177301037

IUPAC6-[1-[(1S)-1-[4-(4-amino-3-fluoro-2-oxo-1-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESC[C@@H](c1cc2c(-n3ccc(N)c(F)c3=O)ccnc2n1C)N1CC=C(c2ccc(C(=O)N(C)C)cn2)CC1
InChIInChI=1S/C28H30FN7O2/c1-17(35-12-8-18(9-13-35)22-6-5-19(16-32-22)27(37)33(2)3)24-15-20-23(7-11-31-26(20)34(24)4)36-14-10-21(30)25(29)28(36)38/h5-8,10-11,14-17H,9,12-13,30H2,1-4H3/t17-/m0/s1
InChIKeyZHVMHBBFDAGQKJ-KRWDZBQOSA-N
MW515.59 g/mol
LogP3.39
Rot. Bonds5

About 6-[1-[(1S)-1-[4-(4-amino-3-fluoro-2-oxo-1-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N-dimethylpyridine-3-carboxamide

6-[1-[(1S)-1-[4-(4-amino-3-fluoro-2-oxo-1-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 177301037) has the molecular formula C28H30FN7O2 and a molecular weight of 515.59 g/mol. Its IUPAC name is 6-[1-[(1S)-1-[4-(4-amino-3-fluoro-2-oxo-1-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[1-[(1S)-1-[4-(4-amino-3-fluoro-2-oxo-1-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID177301037
Molecular FormulaC28H30FN7O2
Molecular Weight515.59 g/mol
Exact Mass515.24
IUPAC Name6-[1-[(1S)-1-[4-(4-amino-3-fluoro-2-oxo-1-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESC[C@@H](c1cc2c(-n3ccc(N)c(F)c3=O)ccnc2n1C)N1CC=C(c2ccc(C(=O)N(C)C)cn2)CC1
InChIInChI=1S/C28H30FN7O2/c1-17(35-12-8-18(9-13-35)22-6-5-19(16-32-22)27(37)33(2)3)24-15-20-23(7-11-31-26(20)34(24)4)36-14-10-21(30)25(29)28(36)38/h5-8,10-11,14-17H,9,12-13,30H2,1-4H3/t17-/m0/s1
InChIKeyZHVMHBBFDAGQKJ-KRWDZBQOSA-N
XLogP3.39
TPSA102.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.59
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[1-[(1S)-1-[4-(4-amino-3-fluoro-2-oxo-1-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N-dimethylpyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[(1S)-1-[4-(4-amino-3-fluoro-2-oxo-1-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[1-[(1S)-1-[4-(4-amino-3-fluoro-2-oxo-1-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N-dimethylpyridine-3-carboxamide (CID 177301037) is 6-[1-[(1S)-1-[4-(4-amino-3-fluoro-2-oxo-1-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[1-[(1S)-1-[4-(4-amino-3-fluoro-2-oxo-1-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[1-[(1S)-1-[4-(4-amino-3-fluoro-2-oxo-1-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N-dimethylpyridine-3-carboxamide is C[C@@H](c1cc2c(-n3ccc(N)c(F)c3=O)ccnc2n1C)N1CC=C(c2ccc(C(=O)N(C)C)cn2)CC1.
What is the InChIKey of 6-[1-[(1S)-1-[4-(4-amino-3-fluoro-2-oxo-1-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is ZHVMHBBFDAGQKJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C28H30FN7O2/c1-17(35-12-8-18(9-13-35)22-6-5-19(16-32-22)27(37)33(2)3)24-15-20-23(7-11-31-26(20)34(24)4)36-14-10-21(30)25(29)28(36)38/h5-8,10-11,14-17H,9,12-13,30H2,1-4H3/t17-/m0/s1.
What are the key properties of 6-[1-[(1S)-1-[4-(4-amino-3-fluoro-2-oxo-1-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N-dimethylpyridine-3-carboxamide?
6-[1-[(1S)-1-[4-(4-amino-3-fluoro-2-oxo-1-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 515.59 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(1S)-1-[4-(4-amino-3-fluoro-2-oxo-1-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 177301037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).