4-(3-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine

C18H18N6 — CID 171446154

IUPAC4-(3-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESc1ccn2c(C3CCCN(c4ncnc5[nH]ccc45)C3)cnc2c1
InChIInChI=1S/C18H18N6/c1-2-9-24-15(10-20-16(24)5-1)13-4-3-8-23(11-13)18-14-6-7-19-17(14)21-12-22-18/h1-2,5-7,9-10,12-13H,3-4,8,11H2,(H,19,21,22)
InChIKeyBUWJHOOPXOROJK-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.99
Rot. Bonds2

About 4-(3-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine

4-(3-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 171446154) has the molecular formula C18H18N6 and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-(3-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(3-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID171446154
Molecular FormulaC18H18N6
Molecular Weight318.38 g/mol
Exact Mass318.16
IUPAC Name4-(3-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESc1ccn2c(C3CCCN(c4ncnc5[nH]ccc45)C3)cnc2c1
InChIInChI=1S/C18H18N6/c1-2-9-24-15(10-20-16(24)5-1)13-4-3-8-23(11-13)18-14-6-7-19-17(14)21-12-22-18/h1-2,5-7,9-10,12-13H,3-4,8,11H2,(H,19,21,22)
InChIKeyBUWJHOOPXOROJK-UHFFFAOYSA-N
XLogP2.99
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine with MolForge

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Related Compounds

3-[1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]imidazo[1,2-a]pyridine
CID 171446115
4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 131901668
4-[3-(2-fluorophenyl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 70719126
4-ethyl-2-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3-thiazole
CID 146084213
N-[3-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]phenyl]pyrimidin-2-amine
CID 129395833
N-phenyl-3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]benzamide
CID 51000607
1-benzyl-3-[3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]phenyl]urea
CID 67986384
1-(2-cyclopropylphenyl)-3-[3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]phenyl]urea
CID 51001094
(2S)-2-amino-2-phenyl-N-[3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]phenyl]acetamide
CID 51000857
4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 154794907
3-(cyclopentylamino)-1-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]piperidin-2-one
CID 67972155
1-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-one
CID 158638880

Frequently Asked Questions

What is the IUPAC name of 4-(3-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-(3-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine (CID 171446154) is 4-(3-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-(3-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-(3-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine is c1ccn2c(C3CCCN(c4ncnc5[nH]ccc45)C3)cnc2c1.
What is the InChIKey of 4-(3-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is BUWJHOOPXOROJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6/c1-2-9-24-15(10-20-16(24)5-1)13-4-3-8-23(11-13)18-14-6-7-19-17(14)21-12-22-18/h1-2,5-7,9-10,12-13H,3-4,8,11H2,(H,19,21,22).
What are the key properties of 4-(3-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
4-(3-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 318.38 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 171446154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).