(3,4-dimethoxyphenyl)-[4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]methanone

C28H29N5O4 — CID 34484289

IUPAC(3,4-dimethoxyphenyl)-[4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3cc(-c4ccccc4)nc4c3c(C)nn4C)CC2)cc1OC
InChIInChI=1S/C28H29N5O4/c1-18-25-21(17-22(19-8-6-5-7-9-19)29-26(25)31(2)30-18)28(35)33-14-12-32(13-15-33)27(34)20-10-11-23(36-3)24(16-20)37-4/h5-11,16-17H,12-15H2,1-4H3
InChIKeyVUYQRJSGMGYCHN-UHFFFAOYSA-N
MW499.57 g/mol
LogP3.56
Rot. Bonds5

About (3,4-dimethoxyphenyl)-[4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]methanone

(3,4-dimethoxyphenyl)-[4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]methanone (PubChem CID 34484289) has the molecular formula C28H29N5O4 and a molecular weight of 499.57 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]methanone
PubChem CID34484289
Molecular FormulaC28H29N5O4
Molecular Weight499.57 g/mol
Exact Mass499.22
IUPAC Name(3,4-dimethoxyphenyl)-[4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3cc(-c4ccccc4)nc4c3c(C)nn4C)CC2)cc1OC
InChIInChI=1S/C28H29N5O4/c1-18-25-21(17-22(19-8-6-5-7-9-19)29-26(25)31(2)30-18)28(35)33-14-12-32(13-15-33)27(34)20-10-11-23(36-3)24(16-20)37-4/h5-11,16-17H,12-15H2,1-4H3
InChIKeyVUYQRJSGMGYCHN-UHFFFAOYSA-N
XLogP3.56
TPSA89.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.57
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 119349357
[4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55522948
azepan-1-yl-[1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]methanone
CID 44823238
(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 43066695
1-[1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide
CID 44822938
(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone
CID 55501194
[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 55956354
2-[2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
CID 55824562
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
[4-(furan-2-ylmethyl)piperazin-1-yl]-[6-(4-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 44821355
N-[1-(2-methoxyphenyl)ethyl]-N,1,3-trimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46588315
(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119396591

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]methanone (CID 34484289) is (3,4-dimethoxyphenyl)-[4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(C(=O)c3cc(-c4ccccc4)nc4c3c(C)nn4C)CC2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-[4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]methanone?
The InChIKey is VUYQRJSGMGYCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O4/c1-18-25-21(17-22(19-8-6-5-7-9-19)29-26(25)31(2)30-18)28(35)33-14-12-32(13-15-33)27(34)20-10-11-23(36-3)24(16-20)37-4/h5-11,16-17H,12-15H2,1-4H3.
What are the key properties of (3,4-dimethoxyphenyl)-[4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]methanone?
(3,4-dimethoxyphenyl)-[4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]methanone has a molecular weight of 499.57 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 34484289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).