6-[4-[2-[[3-aminopropyl(methyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

C30H33N5O2 — CID 10152271

IUPAC6-[4-[2-[[3-aminopropyl(methyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCOc1ccc(-n2ncc3c2C(=O)N(c2ccc(-c4ccccc4CN(C)CCCN)cc2)CC3)cc1
InChIInChI=1S/C30H33N5O2/c1-33(18-5-17-31)21-24-6-3-4-7-28(24)22-8-10-25(11-9-22)34-19-16-23-20-32-35(29(23)30(34)36)26-12-14-27(37-2)15-13-26/h3-4,6-15,20H,5,16-19,21,31H2,1-2H3
InChIKeyIAMHOIVMGXFSJW-UHFFFAOYSA-N
MW495.63 g/mol
LogP4.53
Rot. Bonds9

About 6-[4-[2-[[3-aminopropyl(methyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

6-[4-[2-[[3-aminopropyl(methyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (PubChem CID 10152271) has the molecular formula C30H33N5O2 and a molecular weight of 495.63 g/mol. Its IUPAC name is 6-[4-[2-[[3-aminopropyl(methyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name6-[4-[2-[[3-aminopropyl(methyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
PubChem CID10152271
Molecular FormulaC30H33N5O2
Molecular Weight495.63 g/mol
Exact Mass495.26
IUPAC Name6-[4-[2-[[3-aminopropyl(methyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCOc1ccc(-n2ncc3c2C(=O)N(c2ccc(-c4ccccc4CN(C)CCCN)cc2)CC3)cc1
InChIInChI=1S/C30H33N5O2/c1-33(18-5-17-31)21-24-6-3-4-7-28(24)22-8-10-25(11-9-22)34-19-16-23-20-32-35(29(23)30(34)36)26-12-14-27(37-2)15-13-26/h3-4,6-15,20H,5,16-19,21,31H2,1-2H3
InChIKeyIAMHOIVMGXFSJW-UHFFFAOYSA-N
XLogP4.53
TPSA76.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.63
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[[3-aminopropyl(methyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of 6-[4-[2-[[3-aminopropyl(methyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (CID 10152271) is 6-[4-[2-[[3-aminopropyl(methyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for 6-[4-[2-[[3-aminopropyl(methyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 6-[4-[2-[[3-aminopropyl(methyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is COc1ccc(-n2ncc3c2C(=O)N(c2ccc(-c4ccccc4CN(C)CCCN)cc2)CC3)cc1.
What is the InChIKey of 6-[4-[2-[[3-aminopropyl(methyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The InChIKey is IAMHOIVMGXFSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O2/c1-33(18-5-17-31)21-24-6-3-4-7-28(24)22-8-10-25(11-9-22)34-19-16-23-20-32-35(29(23)30(34)36)26-12-14-27(37-2)15-13-26/h3-4,6-15,20H,5,16-19,21,31H2,1-2H3.
What are the key properties of 6-[4-[2-[[3-aminopropyl(methyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
6-[4-[2-[[3-aminopropyl(methyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one has a molecular weight of 495.63 g/mol, XLogP of 4.53, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[[3-aminopropyl(methyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 10152271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).