N-[3-[4-amino-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide

C23H19F2N7O2S — CID 156677450

IUPACN-[3-[4-amino-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide
SMILESNc1nc(-c2cnc3[nH]ccc3c2)nc2ccc(-c3cccc(NS(=O)(=O)CCCF)c3F)nc12
InChIInChI=1S/C23H19F2N7O2S/c24-8-2-10-35(33,34)32-17-4-1-3-15(19(17)25)16-5-6-18-20(29-16)21(26)31-23(30-18)14-11-13-7-9-27-22(13)28-12-14/h1,3-7,9,11-12,32H,2,8,10H2,(H,27,28)(H2,26,30,31)
InChIKeyODFFYYYKEIKEAU-UHFFFAOYSA-N
MW495.52 g/mol
LogP4.06
Rot. Bonds7

About N-[3-[4-amino-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide

N-[3-[4-amino-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide (PubChem CID 156677450) has the molecular formula C23H19F2N7O2S and a molecular weight of 495.52 g/mol. Its IUPAC name is N-[3-[4-amino-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[4-amino-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide
PubChem CID156677450
Molecular FormulaC23H19F2N7O2S
Molecular Weight495.52 g/mol
Exact Mass495.13
IUPAC NameN-[3-[4-amino-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide
SMILESNc1nc(-c2cnc3[nH]ccc3c2)nc2ccc(-c3cccc(NS(=O)(=O)CCCF)c3F)nc12
InChIInChI=1S/C23H19F2N7O2S/c24-8-2-10-35(33,34)32-17-4-1-3-15(19(17)25)16-5-6-18-20(29-16)21(26)31-23(30-18)14-11-13-7-9-27-22(13)28-12-14/h1,3-7,9,11-12,32H,2,8,10H2,(H,27,28)(H2,26,30,31)
InChIKeyODFFYYYKEIKEAU-UHFFFAOYSA-N
XLogP4.06
TPSA139.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.52
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[3-[4-amino-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide 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-[3-[4-amino-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide?
The IUPAC name of N-[3-[4-amino-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide (CID 156677450) is N-[3-[4-amino-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide.
What is the SMILES notation for N-[3-[4-amino-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide?
The canonical SMILES for N-[3-[4-amino-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide is Nc1nc(-c2cnc3[nH]ccc3c2)nc2ccc(-c3cccc(NS(=O)(=O)CCCF)c3F)nc12.
What is the InChIKey of N-[3-[4-amino-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide?
The InChIKey is ODFFYYYKEIKEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N7O2S/c24-8-2-10-35(33,34)32-17-4-1-3-15(19(17)25)16-5-6-18-20(29-16)21(26)31-23(30-18)14-11-13-7-9-27-22(13)28-12-14/h1,3-7,9,11-12,32H,2,8,10H2,(H,27,28)(H2,26,30,31).
What are the key properties of N-[3-[4-amino-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide?
N-[3-[4-amino-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide has a molecular weight of 495.52 g/mol, XLogP of 4.06, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-amino-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide is sourced from PubChem (CID 156677450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).