1-(cyclopropylmethyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C21H27N5O — CID 169416644

IUPAC1-(cyclopropylmethyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCN1CCN(c2ccc(C3CC(=O)Nc4c3cnn4CC3CC3)cc2)CC1
InChIInChI=1S/C21H27N5O/c1-24-8-10-25(11-9-24)17-6-4-16(5-7-17)18-12-20(27)23-21-19(18)13-22-26(21)14-15-2-3-15/h4-7,13,15,18H,2-3,8-12,14H2,1H3,(H,23,27)
InChIKeyMPEICSISMDSOFV-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.52
Rot. Bonds4

About 1-(cyclopropylmethyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

1-(cyclopropylmethyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 169416644) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID169416644
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name1-(cyclopropylmethyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCN1CCN(c2ccc(C3CC(=O)Nc4c3cnn4CC3CC3)cc2)CC1
InChIInChI=1S/C21H27N5O/c1-24-8-10-25(11-9-24)17-6-4-16(5-7-17)18-12-20(27)23-21-19(18)13-22-26(21)14-15-2-3-15/h4-7,13,15,18H,2-3,8-12,14H2,1H3,(H,23,27)
InChIKeyMPEICSISMDSOFV-UHFFFAOYSA-N
XLogP2.52
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(cyclopropylmethyl)-4-[1-(3-fluorophenyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 170503423
1-(cyclopropylmethyl)-4-(6-methoxy-2-pyridinyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 170502065
3-methyl-1-(3-methylbutyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169417189
(4S)-1-(cyclohexylmethyl)-4-[3-(2-hydroxyethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136697844
1-cyclohexyl-4-[4-(4-methylpiperazin-1-yl)phenyl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 169416726
methyl N-[4-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate
CID 169421884
(4S)-1-(pyridin-4-ylmethyl)-4-[4-(1,2,4-triazol-1-yl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136713773
4-[6-oxo-1-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoic acid
CID 135634206
4-[1-[(4-chlorophenyl)methyl]-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoic acid
CID 135632410
(4S)-4-(4-ethylphenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136789569
(4S)-4-phenyl-1-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136899685
(4S)-4-(1-methylpyrazol-4-yl)-1-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136899655

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-(cyclopropylmethyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 169416644) is 1-(cyclopropylmethyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-(cyclopropylmethyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is CN1CCN(c2ccc(C3CC(=O)Nc4c3cnn4CC3CC3)cc2)CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is MPEICSISMDSOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-24-8-10-25(11-9-24)17-6-4-16(5-7-17)18-12-20(27)23-21-19(18)13-22-26(21)14-15-2-3-15/h4-7,13,15,18H,2-3,8-12,14H2,1H3,(H,23,27).
What are the key properties of 1-(cyclopropylmethyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
1-(cyclopropylmethyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 365.48 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 169416644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).