6-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-N,N-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridine-3-carboxamide

C21H22FN7O — CID 155540396

IUPAC6-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-N,N-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCc1cc(-n2cc(C(=O)N(C)C)c3ccc(N[C@@H](C)c4ccc(F)cn4)nc32)n[nH]1
InChIInChI=1S/C21H22FN7O/c1-12-9-19(27-26-12)29-11-16(21(30)28(3)4)15-6-8-18(25-20(15)29)24-13(2)17-7-5-14(22)10-23-17/h5-11,13H,1-4H3,(H,24,25)(H,26,27)/t13-/m0/s1
InChIKeyGYPCQEWODOUOAU-ZDUSSCGKSA-N
MW407.45 g/mol
LogP3.47
Rot. Bonds5

About 6-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-N,N-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridine-3-carboxamide

6-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-N,N-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 155540396) has the molecular formula C21H22FN7O and a molecular weight of 407.45 g/mol. Its IUPAC name is 6-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-N,N-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-N,N-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID155540396
Molecular FormulaC21H22FN7O
Molecular Weight407.45 g/mol
Exact Mass407.19
IUPAC Name6-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-N,N-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCc1cc(-n2cc(C(=O)N(C)C)c3ccc(N[C@@H](C)c4ccc(F)cn4)nc32)n[nH]1
InChIInChI=1S/C21H22FN7O/c1-12-9-19(27-26-12)29-11-16(21(30)28(3)4)15-6-8-18(25-20(15)29)24-13(2)17-7-5-14(22)10-23-17/h5-11,13H,1-4H3,(H,24,25)(H,26,27)/t13-/m0/s1
InChIKeyGYPCQEWODOUOAU-ZDUSSCGKSA-N
XLogP3.47
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-N,N-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-N,N-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 6-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-N,N-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridine-3-carboxamide (CID 155540396) is 6-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-N,N-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-N,N-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 6-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-N,N-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridine-3-carboxamide is Cc1cc(-n2cc(C(=O)N(C)C)c3ccc(N[C@@H](C)c4ccc(F)cn4)nc32)n[nH]1.
What is the InChIKey of 6-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-N,N-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is GYPCQEWODOUOAU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H22FN7O/c1-12-9-19(27-26-12)29-11-16(21(30)28(3)4)15-6-8-18(25-20(15)29)24-13(2)17-7-5-14(22)10-23-17/h5-11,13H,1-4H3,(H,24,25)(H,26,27)/t13-/m0/s1.
What are the key properties of 6-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-N,N-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridine-3-carboxamide?
6-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-N,N-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-N,N-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 155540396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).