N-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1-methylcyclobutyl]propanamide

C21H24N8O2 — CID 168773505

IUPACN-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1-methylcyclobutyl]propanamide
SMILESCCC(=O)NC1(C)CC(Nc2nc(OC)c3c(-c4cnc5nccn5c4)c[nH]c3n2)C1
InChIInChI=1S/C21H24N8O2/c1-4-15(30)28-21(2)7-13(8-21)25-19-26-17-16(18(27-19)31-3)14(10-23-17)12-9-24-20-22-5-6-29(20)11-12/h5-6,9-11,13H,4,7-8H2,1-3H3,(H,28,30)(H2,23,25,26,27)
InChIKeyHVKGMNRQGVVWJH-UHFFFAOYSA-N
MW420.48 g/mol
LogP2.54
Rot. Bonds6

About N-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1-methylcyclobutyl]propanamide

N-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1-methylcyclobutyl]propanamide (PubChem CID 168773505) has the molecular formula C21H24N8O2 and a molecular weight of 420.48 g/mol. Its IUPAC name is N-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1-methylcyclobutyl]propanamide.

Molecular Properties

Compound NameN-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1-methylcyclobutyl]propanamide
PubChem CID168773505
Molecular FormulaC21H24N8O2
Molecular Weight420.48 g/mol
Exact Mass420.20
IUPAC NameN-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1-methylcyclobutyl]propanamide
SMILESCCC(=O)NC1(C)CC(Nc2nc(OC)c3c(-c4cnc5nccn5c4)c[nH]c3n2)C1
InChIInChI=1S/C21H24N8O2/c1-4-15(30)28-21(2)7-13(8-21)25-19-26-17-16(18(27-19)31-3)14(10-23-17)12-9-24-20-22-5-6-29(20)11-12/h5-6,9-11,13H,4,7-8H2,1-3H3,(H,28,30)(H2,23,25,26,27)
InChIKeyHVKGMNRQGVVWJH-UHFFFAOYSA-N
XLogP2.54
TPSA122.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1-methylcyclobutyl]propanamide with MolForge

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Related Compounds

1-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1-methylcyclobutyl]pyrrolidin-2-one
CID 168773665
4-[[5-imidazo[1,2-a]pyrimidin-6-yl-4-(trideuteriomethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclohexan-1-ol
CID 168773109
1-ethyl-4-[(5-imidazo[1,2-a]pyridin-6-yl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol
CID 168772435
1-[3-[[5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclobutyl]pyrrolidin-2-one
CID 168772381
1-[2-[(5-imidazo[1,2-a]pyrimidin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-7-azaspiro[3.5]nonan-7-yl]ethanone
CID 168773690
N-[1-methyl-3-[(5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]cyclobutyl]propanamide
CID 168772395
1-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]azetidin-1-yl]ethanone
CID 170641808
1-[7-[(5-imidazo[1,2-a]pyrimidin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 168772915
1-ethyl-4-[[4-methoxy-5-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 168773298
N-(3,3-difluorocyclopentyl)-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 170657515
1-ethyl-4-[[4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 168773619
1-[7-[[5-[1-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-6-yl]-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 168772275

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1-methylcyclobutyl]propanamide?
The IUPAC name of N-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1-methylcyclobutyl]propanamide (CID 168773505) is N-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1-methylcyclobutyl]propanamide.
What is the SMILES notation for N-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1-methylcyclobutyl]propanamide?
The canonical SMILES for N-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1-methylcyclobutyl]propanamide is CCC(=O)NC1(C)CC(Nc2nc(OC)c3c(-c4cnc5nccn5c4)c[nH]c3n2)C1.
What is the InChIKey of N-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1-methylcyclobutyl]propanamide?
The InChIKey is HVKGMNRQGVVWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O2/c1-4-15(30)28-21(2)7-13(8-21)25-19-26-17-16(18(27-19)31-3)14(10-23-17)12-9-24-20-22-5-6-29(20)11-12/h5-6,9-11,13H,4,7-8H2,1-3H3,(H,28,30)(H2,23,25,26,27).
What are the key properties of N-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1-methylcyclobutyl]propanamide?
N-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1-methylcyclobutyl]propanamide has a molecular weight of 420.48 g/mol, XLogP of 2.54, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1-methylcyclobutyl]propanamide is sourced from PubChem (CID 168773505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).