5-[4-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrazolo[1,5-a]pyrimidine

C30H27N7 — CID 68753940

IUPAC5-[4-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrazolo[1,5-a]pyrimidine
SMILESc1ccc(-c2cn3nccc3nc2-c2ccc(CN3CCC(c4nc5ncccc5[nH]4)CC3)cc2)cc1
InChIInChI=1S/C30H27N7/c1-2-5-22(6-3-1)25-20-37-27(12-16-32-37)34-28(25)23-10-8-21(9-11-23)19-36-17-13-24(14-18-36)29-33-26-7-4-15-31-30(26)35-29/h1-12,15-16,20,24H,13-14,17-19H2,(H,31,33,35)
InChIKeyWORILLZBTOUKOU-UHFFFAOYSA-N
MW485.60 g/mol
LogP5.71
Rot. Bonds5

About 5-[4-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrazolo[1,5-a]pyrimidine

5-[4-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 68753940) has the molecular formula C30H27N7 and a molecular weight of 485.60 g/mol. Its IUPAC name is 5-[4-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[4-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID68753940
Molecular FormulaC30H27N7
Molecular Weight485.60 g/mol
Exact Mass485.23
IUPAC Name5-[4-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrazolo[1,5-a]pyrimidine
SMILESc1ccc(-c2cn3nccc3nc2-c2ccc(CN3CCC(c4nc5ncccc5[nH]4)CC3)cc2)cc1
InChIInChI=1S/C30H27N7/c1-2-5-22(6-3-1)25-20-37-27(12-16-32-37)34-28(25)23-10-8-21(9-11-23)19-36-17-13-24(14-18-36)29-33-26-7-4-15-31-30(26)35-29/h1-12,15-16,20,24H,13-14,17-19H2,(H,31,33,35)
InChIKeyWORILLZBTOUKOU-UHFFFAOYSA-N
XLogP5.71
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.60
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[4-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrazolo[1,5-a]pyrimidine (CID 68753940) is 5-[4-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[4-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[4-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrazolo[1,5-a]pyrimidine is c1ccc(-c2cn3nccc3nc2-c2ccc(CN3CCC(c4nc5ncccc5[nH]4)CC3)cc2)cc1.
What is the InChIKey of 5-[4-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is WORILLZBTOUKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N7/c1-2-5-22(6-3-1)25-20-37-27(12-16-32-37)34-28(25)23-10-8-21(9-11-23)19-36-17-13-24(14-18-36)29-33-26-7-4-15-31-30(26)35-29/h1-12,15-16,20,24H,13-14,17-19H2,(H,31,33,35).
What are the key properties of 5-[4-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrazolo[1,5-a]pyrimidine?
5-[4-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 485.60 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 68753940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).