N-[(1-fluorocyclobutyl)methyl]-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C21H24FN7 — CID 168773885

IUPACN-[(1-fluorocyclobutyl)methyl]-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1nc2ncc(-c3c[nH]c4nc(NCC5(F)CCC5)ncc34)cc2n1C(C)C
InChIInChI=1S/C21H24FN7/c1-12(2)29-13(3)27-19-17(29)7-14(8-23-19)15-9-24-18-16(15)10-25-20(28-18)26-11-21(22)5-4-6-21/h7-10,12H,4-6,11H2,1-3H3,(H2,24,25,26,28)
InChIKeySSARDMMIPQGJLH-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.56
Rot. Bonds5

About N-[(1-fluorocyclobutyl)methyl]-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine

N-[(1-fluorocyclobutyl)methyl]-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 168773885) has the molecular formula C21H24FN7 and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[(1-fluorocyclobutyl)methyl]-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1-fluorocyclobutyl)methyl]-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID168773885
Molecular FormulaC21H24FN7
Molecular Weight393.47 g/mol
Exact Mass393.21
IUPAC NameN-[(1-fluorocyclobutyl)methyl]-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1nc2ncc(-c3c[nH]c4nc(NCC5(F)CCC5)ncc34)cc2n1C(C)C
InChIInChI=1S/C21H24FN7/c1-12(2)29-13(3)27-19-17(29)7-14(8-23-19)15-9-24-18-16(15)10-25-20(28-18)26-11-21(22)5-4-6-21/h7-10,12H,4-6,11H2,1-3H3,(H2,24,25,26,28)
InChIKeySSARDMMIPQGJLH-UHFFFAOYSA-N
XLogP4.56
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1-fluorocyclobutyl)methyl]-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine with MolForge

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Related Compounds

N-[(1-methylcyclopropyl)methyl]-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168774035
N-[(4,4-difluorocyclohexyl)methyl]-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773196
6-(2-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-methyl-1-propan-2-ylimidazo[4,5-b]pyridine
CID 168773512
5-(3-ethylbenzotriazol-5-yl)-N-[(1-fluorocyclobutyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168774235
N-[(1-fluorocyclobutyl)methyl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168774152
N-[(4,4-difluorocyclohexyl)methyl]-5-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168772246
1-[7-[[5-[1-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 168773392
5-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-[(1-fluorocyclopropyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773475
5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-N-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773324
N-(4,4-difluorocyclohexyl)-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773223
5-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773612
5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-N-(4-morpholin-4-ylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 168773012

Frequently Asked Questions

What is the IUPAC name of N-[(1-fluorocyclobutyl)methyl]-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-[(1-fluorocyclobutyl)methyl]-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 168773885) is N-[(1-fluorocyclobutyl)methyl]-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-[(1-fluorocyclobutyl)methyl]-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-[(1-fluorocyclobutyl)methyl]-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine is Cc1nc2ncc(-c3c[nH]c4nc(NCC5(F)CCC5)ncc34)cc2n1C(C)C.
What is the InChIKey of N-[(1-fluorocyclobutyl)methyl]-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is SSARDMMIPQGJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN7/c1-12(2)29-13(3)27-19-17(29)7-14(8-23-19)15-9-24-18-16(15)10-25-20(28-18)26-11-21(22)5-4-6-21/h7-10,12H,4-6,11H2,1-3H3,(H2,24,25,26,28).
What are the key properties of N-[(1-fluorocyclobutyl)methyl]-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
N-[(1-fluorocyclobutyl)methyl]-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 393.47 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-fluorocyclobutyl)methyl]-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 168773885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).