N-[[7-[2,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-4-yl(methyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methyl]methanesulfonamide

C16H23N7O2S — CID 163657526

IUPACN-[[7-[2,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-4-yl(methyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methyl]methanesulfonamide
SMILESCN(C1=NCNc2[nH]ccc21)C1CCn2cc(CNS(C)(=O)=O)nc2C1
InChIInChI=1S/C16H23N7O2S/c1-22(16-13-3-5-17-15(13)18-10-19-16)12-4-6-23-9-11(21-14(23)7-12)8-20-26(2,24)25/h3,5,9,12,17-18,20H,4,6-8,10H2,1-2H3
InChIKeyWPBXIKDIOZFZFW-UHFFFAOYSA-N
MW377.47 g/mol
LogP0.34
Rot. Bonds4

About N-[[7-[2,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-4-yl(methyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methyl]methanesulfonamide

N-[[7-[2,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-4-yl(methyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methyl]methanesulfonamide (PubChem CID 163657526) has the molecular formula C16H23N7O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[[7-[2,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-4-yl(methyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[7-[2,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-4-yl(methyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methyl]methanesulfonamide
PubChem CID163657526
Molecular FormulaC16H23N7O2S
Molecular Weight377.47 g/mol
Exact Mass377.16
IUPAC NameN-[[7-[2,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-4-yl(methyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methyl]methanesulfonamide
SMILESCN(C1=NCNc2[nH]ccc21)C1CCn2cc(CNS(C)(=O)=O)nc2C1
InChIInChI=1S/C16H23N7O2S/c1-22(16-13-3-5-17-15(13)18-10-19-16)12-4-6-23-9-11(21-14(23)7-12)8-20-26(2,24)25/h3,5,9,12,17-18,20H,4,6-8,10H2,1-2H3
InChIKeyWPBXIKDIOZFZFW-UHFFFAOYSA-N
XLogP0.34
TPSA107.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[[7-[2,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-4-yl(methyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methyl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[7-[2,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-4-yl(methyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[7-[2,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-4-yl(methyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methyl]methanesulfonamide (CID 163657526) is N-[[7-[2,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-4-yl(methyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[7-[2,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-4-yl(methyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[7-[2,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-4-yl(methyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methyl]methanesulfonamide is CN(C1=NCNc2[nH]ccc21)C1CCn2cc(CNS(C)(=O)=O)nc2C1.
What is the InChIKey of N-[[7-[2,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-4-yl(methyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methyl]methanesulfonamide?
The InChIKey is WPBXIKDIOZFZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O2S/c1-22(16-13-3-5-17-15(13)18-10-19-16)12-4-6-23-9-11(21-14(23)7-12)8-20-26(2,24)25/h3,5,9,12,17-18,20H,4,6-8,10H2,1-2H3.
What are the key properties of N-[[7-[2,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-4-yl(methyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methyl]methanesulfonamide?
N-[[7-[2,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-4-yl(methyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methyl]methanesulfonamide has a molecular weight of 377.47 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-[2,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-4-yl(methyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 163657526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).