N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide

C22H22N8O3S — CID 147178367

IUPACN-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide
SMILESCN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)nc2[nH]ccc12)S(C)(=O)=O
InChIInChI=1S/C22H22N8O3S/c1-30(34(2,32)33)21-13(4-3-8-24-21)12-25-20-16-7-9-23-19(16)28-22(29-20)26-15-5-6-17-14(10-15)11-18(31)27-17/h3-10H,11-12H2,1-2H3,(H,27,31)(H3,23,25,26,28,29)
InChIKeyBZBYTMSMMUXKLO-UHFFFAOYSA-N
MW478.54 g/mol
LogP2.60
Rot. Bonds7

About N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide

N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide (PubChem CID 147178367) has the molecular formula C22H22N8O3S and a molecular weight of 478.54 g/mol. Its IUPAC name is N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide
PubChem CID147178367
Molecular FormulaC22H22N8O3S
Molecular Weight478.54 g/mol
Exact Mass478.15
IUPAC NameN-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide
SMILESCN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)nc2[nH]ccc12)S(C)(=O)=O
InChIInChI=1S/C22H22N8O3S/c1-30(34(2,32)33)21-13(4-3-8-24-21)12-25-20-16-7-9-23-19(16)28-22(29-20)26-15-5-6-17-14(10-15)11-18(31)27-17/h3-10H,11-12H2,1-2H3,(H,27,31)(H3,23,25,26,28,29)
InChIKeyBZBYTMSMMUXKLO-UHFFFAOYSA-N
XLogP2.60
TPSA145.00 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.54
LogP ≤ 52.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide 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-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide (CID 147178367) is N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide is CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)nc2[nH]ccc12)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide?
The InChIKey is BZBYTMSMMUXKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O3S/c1-30(34(2,32)33)21-13(4-3-8-24-21)12-25-20-16-7-9-23-19(16)28-22(29-20)26-15-5-6-17-14(10-15)11-18(31)27-17/h3-10H,11-12H2,1-2H3,(H,27,31)(H3,23,25,26,28,29).
What are the key properties of N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide?
N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide has a molecular weight of 478.54 g/mol, XLogP of 2.60, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 147178367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).