7-[4-[3-(imidazo[1,2-a]pyridin-7-ylmethyl)cyclobutyl]butan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine

C22H26N6 — CID 142602568

IUPAC7-[4-[3-(imidazo[1,2-a]pyridin-7-ylmethyl)cyclobutyl]butan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(CCC1CC(Cc2ccn3ccnc3c2)C1)n1ccc2c(N)ncnc21
InChIInChI=1S/C22H26N6/c1-15(28-8-5-19-21(23)25-14-26-22(19)28)2-3-16-10-18(11-16)12-17-4-7-27-9-6-24-20(27)13-17/h4-9,13-16,18H,2-3,10-12H2,1H3,(H2,23,25,26)
InChIKeyVYFHWPSHEZBJOK-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.27
Rot. Bonds6

About 7-[4-[3-(imidazo[1,2-a]pyridin-7-ylmethyl)cyclobutyl]butan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine

7-[4-[3-(imidazo[1,2-a]pyridin-7-ylmethyl)cyclobutyl]butan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 142602568) has the molecular formula C22H26N6 and a molecular weight of 374.49 g/mol. Its IUPAC name is 7-[4-[3-(imidazo[1,2-a]pyridin-7-ylmethyl)cyclobutyl]butan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[4-[3-(imidazo[1,2-a]pyridin-7-ylmethyl)cyclobutyl]butan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID142602568
Molecular FormulaC22H26N6
Molecular Weight374.49 g/mol
Exact Mass374.22
IUPAC Name7-[4-[3-(imidazo[1,2-a]pyridin-7-ylmethyl)cyclobutyl]butan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(CCC1CC(Cc2ccn3ccnc3c2)C1)n1ccc2c(N)ncnc21
InChIInChI=1S/C22H26N6/c1-15(28-8-5-19-21(23)25-14-26-22(19)28)2-3-16-10-18(11-16)12-17-4-7-27-9-6-24-20(27)13-17/h4-9,13-16,18H,2-3,10-12H2,1H3,(H2,23,25,26)
InChIKeyVYFHWPSHEZBJOK-UHFFFAOYSA-N
XLogP4.27
TPSA74.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)butyl]cyclobutan-1-ol;ethane
CID 142602525
ethane;2-methoxypropan-2-ol;7-[4-(3-methylcyclobutyl)butan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 142602577
7-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-(2-imidazo[1,2-a]pyridin-7-ylethyl)-2-oxaspiro[4.4]nonane-8,9-diol
CID 155159064
(1R,2S,3R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-1-[1-methyl-3-(pyridin-3-ylmethyl)cyclobutyl]butane-1,2-diol
CID 167191405
3-amino-N-(imidazo[1,2-a]pyridin-7-ylmethyl)cyclopentane-1-carboxamide
CID 119889498
N-[7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]imidazo[1,2-a]pyridin-2-yl]acetamide;propane-2,2-diol
CID 142318310
(2S)-2-amino-3-imidazo[1,2-a]pyridin-7-ylpropanoic acid
CID 96765274
7-[3-[(4-chlorophenyl)methyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 142419646
(1R,2R,4S)-4-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentan-1-ol
CID 170402952
N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-(1-propan-2-ylsulfonylazetidin-3-yl)benzamide
CID 86701965
6-(2-amino-4-methylphenyl)-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 70275151
7-[3-(4-aminobutyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 167462175

Frequently Asked Questions

What is the IUPAC name of 7-[4-[3-(imidazo[1,2-a]pyridin-7-ylmethyl)cyclobutyl]butan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-[4-[3-(imidazo[1,2-a]pyridin-7-ylmethyl)cyclobutyl]butan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine (CID 142602568) is 7-[4-[3-(imidazo[1,2-a]pyridin-7-ylmethyl)cyclobutyl]butan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[4-[3-(imidazo[1,2-a]pyridin-7-ylmethyl)cyclobutyl]butan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-[4-[3-(imidazo[1,2-a]pyridin-7-ylmethyl)cyclobutyl]butan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine is CC(CCC1CC(Cc2ccn3ccnc3c2)C1)n1ccc2c(N)ncnc21.
What is the InChIKey of 7-[4-[3-(imidazo[1,2-a]pyridin-7-ylmethyl)cyclobutyl]butan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is VYFHWPSHEZBJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6/c1-15(28-8-5-19-21(23)25-14-26-22(19)28)2-3-16-10-18(11-16)12-17-4-7-27-9-6-24-20(27)13-17/h4-9,13-16,18H,2-3,10-12H2,1H3,(H2,23,25,26).
What are the key properties of 7-[4-[3-(imidazo[1,2-a]pyridin-7-ylmethyl)cyclobutyl]butan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
7-[4-[3-(imidazo[1,2-a]pyridin-7-ylmethyl)cyclobutyl]butan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 374.49 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[3-(imidazo[1,2-a]pyridin-7-ylmethyl)cyclobutyl]butan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 142602568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).