(4R)-3-cyclopropyl-1-methyl-4-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C20H26N4OS — CID 136820646

IUPAC(4R)-3-cyclopropyl-1-methyl-4-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCn1nc(C2CC2)c2c1NC(=O)C[C@H]2c1ccc(CN2CCCCC2)s1
InChIInChI=1S/C20H26N4OS/c1-23-20-18(19(22-23)13-5-6-13)15(11-17(25)21-20)16-8-7-14(26-16)12-24-9-3-2-4-10-24/h7-8,13,15H,2-6,9-12H2,1H3,(H,21,25)/t15-/m0/s1
InChIKeyZWUAEMRYSVHJGK-HNNXBMFYSA-N
MW370.52 g/mol
LogP3.82
Rot. Bonds4

About (4R)-3-cyclopropyl-1-methyl-4-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4R)-3-cyclopropyl-1-methyl-4-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136820646) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is (4R)-3-cyclopropyl-1-methyl-4-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-3-cyclopropyl-1-methyl-4-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136820646
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name(4R)-3-cyclopropyl-1-methyl-4-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCn1nc(C2CC2)c2c1NC(=O)C[C@H]2c1ccc(CN2CCCCC2)s1
InChIInChI=1S/C20H26N4OS/c1-23-20-18(19(22-23)13-5-6-13)15(11-17(25)21-20)16-8-7-14(26-16)12-24-9-3-2-4-10-24/h7-8,13,15H,2-6,9-12H2,1H3,(H,21,25)/t15-/m0/s1
InChIKeyZWUAEMRYSVHJGK-HNNXBMFYSA-N
XLogP3.82
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-3-cyclopropyl-1-methyl-4-[1-(2-methylpropyl)benzimidazol-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136697814
1,3-dimethyl-4-[2-(3-piperidin-1-ylpropoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 171909605
4-[1-[(5-cyclopropylthiophen-2-yl)methyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 162749012
(4aS,7aR)-1-methyl-4-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 133131123
(4R)-1,3-dimethyl-4-naphthalen-1-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136733990
1-methyl-4-(2-methylpyrazol-3-yl)-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169413276
(4R)-4-(4-fluorophenyl)-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136892937
4-[(4S)-1,3-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoic acid
CID 136861074
1-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]piperidine
CID 46739745
(1S,5R)-3-[(5-cyclohexylthiophen-2-yl)methyl]-3,9-diazabicyclo[3.3.2]decan-10-one
CID 74237134
(4R)-4-cyclohexyl-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826185
(4S)-4-(4-cyclopentyloxyphenyl)-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826138

Frequently Asked Questions

What is the IUPAC name of (4R)-3-cyclopropyl-1-methyl-4-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4R)-3-cyclopropyl-1-methyl-4-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136820646) is (4R)-3-cyclopropyl-1-methyl-4-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-3-cyclopropyl-1-methyl-4-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-3-cyclopropyl-1-methyl-4-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cn1nc(C2CC2)c2c1NC(=O)C[C@H]2c1ccc(CN2CCCCC2)s1.
What is the InChIKey of (4R)-3-cyclopropyl-1-methyl-4-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is ZWUAEMRYSVHJGK-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-23-20-18(19(22-23)13-5-6-13)15(11-17(25)21-20)16-8-7-14(26-16)12-24-9-3-2-4-10-24/h7-8,13,15H,2-6,9-12H2,1H3,(H,21,25)/t15-/m0/s1.
What are the key properties of (4R)-3-cyclopropyl-1-methyl-4-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4R)-3-cyclopropyl-1-methyl-4-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 370.52 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-cyclopropyl-1-methyl-4-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136820646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).