N-tert-butyl-5-[5-[3,3-difluoro-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]pyridine-2-carboxamide

C23H29F2N5O — CID 156811455

IUPACN-tert-butyl-5-[5-[3,3-difluoro-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]pyridine-2-carboxamide
SMILESCNCCC(F)(F)CCc1cnc2c(ccn2-c2ccc(C(=O)NC(C)(C)C)nc2)c1
InChIInChI=1S/C23H29F2N5O/c1-22(2,3)29-21(31)19-6-5-18(15-27-19)30-12-8-17-13-16(14-28-20(17)30)7-9-23(24,25)10-11-26-4/h5-6,8,12-15,26H,7,9-11H2,1-4H3,(H,29,31)
InChIKeyKOPDIQSMJXQNBN-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.13
Rot. Bonds8

About N-tert-butyl-5-[5-[3,3-difluoro-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]pyridine-2-carboxamide

N-tert-butyl-5-[5-[3,3-difluoro-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]pyridine-2-carboxamide (PubChem CID 156811455) has the molecular formula C23H29F2N5O and a molecular weight of 429.52 g/mol. Its IUPAC name is N-tert-butyl-5-[5-[3,3-difluoro-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-[5-[3,3-difluoro-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]pyridine-2-carboxamide
PubChem CID156811455
Molecular FormulaC23H29F2N5O
Molecular Weight429.52 g/mol
Exact Mass429.23
IUPAC NameN-tert-butyl-5-[5-[3,3-difluoro-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]pyridine-2-carboxamide
SMILESCNCCC(F)(F)CCc1cnc2c(ccn2-c2ccc(C(=O)NC(C)(C)C)nc2)c1
InChIInChI=1S/C23H29F2N5O/c1-22(2,3)29-21(31)19-6-5-18(15-27-19)30-12-8-17-13-16(14-28-20(17)30)7-9-23(24,25)10-11-26-4/h5-6,8,12-15,26H,7,9-11H2,1-4H3,(H,29,31)
InChIKeyKOPDIQSMJXQNBN-UHFFFAOYSA-N
XLogP4.13
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-tert-butyl-5-[5-[3,3-difluoro-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]pyridine-2-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 N-tert-butyl-5-[5-[3,3-difluoro-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-tert-butyl-5-[5-[3,3-difluoro-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]pyridine-2-carboxamide (CID 156811455) is N-tert-butyl-5-[5-[3,3-difluoro-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-5-[5-[3,3-difluoro-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-tert-butyl-5-[5-[3,3-difluoro-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]pyridine-2-carboxamide is CNCCC(F)(F)CCc1cnc2c(ccn2-c2ccc(C(=O)NC(C)(C)C)nc2)c1.
What is the InChIKey of N-tert-butyl-5-[5-[3,3-difluoro-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]pyridine-2-carboxamide?
The InChIKey is KOPDIQSMJXQNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F2N5O/c1-22(2,3)29-21(31)19-6-5-18(15-27-19)30-12-8-17-13-16(14-28-20(17)30)7-9-23(24,25)10-11-26-4/h5-6,8,12-15,26H,7,9-11H2,1-4H3,(H,29,31).
What are the key properties of N-tert-butyl-5-[5-[3,3-difluoro-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]pyridine-2-carboxamide?
N-tert-butyl-5-[5-[3,3-difluoro-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]pyridine-2-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[5-[3,3-difluoro-5-(methylamino)pentyl]pyrrolo[2,3-b]pyridin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 156811455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).