5-amino-1-[4-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]piperazin-1-yl]pentan-1-one

C27H37N7O2 — CID 158912310

IUPAC5-amino-1-[4-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]piperazin-1-yl]pentan-1-one
SMILESCc1ccc(-n2nc(N3CCOC(CN4CCN(C(=O)CCCCN)CC4)C3)c3ccncc32)cc1
InChIInChI=1S/C27H37N7O2/c1-21-5-7-22(8-6-21)34-25-18-29-11-9-24(25)27(30-34)33-16-17-36-23(20-33)19-31-12-14-32(15-13-31)26(35)4-2-3-10-28/h5-9,11,18,23H,2-4,10,12-17,19-20,28H2,1H3
InChIKeyJGUNCRAJNVTJBJ-UHFFFAOYSA-N
MW491.64 g/mol
LogP2.21
Rot. Bonds8

About 5-amino-1-[4-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]piperazin-1-yl]pentan-1-one

5-amino-1-[4-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]piperazin-1-yl]pentan-1-one (PubChem CID 158912310) has the molecular formula C27H37N7O2 and a molecular weight of 491.64 g/mol. Its IUPAC name is 5-amino-1-[4-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name5-amino-1-[4-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]piperazin-1-yl]pentan-1-one
PubChem CID158912310
Molecular FormulaC27H37N7O2
Molecular Weight491.64 g/mol
Exact Mass491.30
IUPAC Name5-amino-1-[4-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]piperazin-1-yl]pentan-1-one
SMILESCc1ccc(-n2nc(N3CCOC(CN4CCN(C(=O)CCCCN)CC4)C3)c3ccncc32)cc1
InChIInChI=1S/C27H37N7O2/c1-21-5-7-22(8-6-21)34-25-18-29-11-9-24(25)27(30-34)33-16-17-36-23(20-33)19-31-12-14-32(15-13-31)26(35)4-2-3-10-28/h5-9,11,18,23H,2-4,10,12-17,19-20,28H2,1H3
InChIKeyJGUNCRAJNVTJBJ-UHFFFAOYSA-N
XLogP2.21
TPSA92.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.64
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-aminopropyl 4-[[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]piperazine-1-carboxylate;trihydrochloride
CID 140654567
[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methanol
CID 71516230
1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-(4-methylpiperazin-1-yl)butan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-(1-methylpiperidin-4-yl)butan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]octane-1,7-dione;cyclopropyl N-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]carbamate;propan-2-yl N-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]carbamate
CID 161243854
N-(2-aminoethyl)-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxamide
CID 67418601
carbon dioxide;4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine;hydrochloride
CID 158726702
4-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-carboxamide
CID 133443384
4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxylic acid
CID 89440941
N-(2-aminoethyl)-1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxamide
CID 71516167
4-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-carboxamide
CID 133443391
5-amino-1-[2-(hydroxymethyl)morpholin-4-yl]pentan-1-one
CID 81202936
6-amino-1-[2-(hydroxymethyl)morpholin-4-yl]hexan-1-one
CID 81204003
7-amino-1-[2-(hydroxymethyl)morpholin-4-yl]heptan-1-one
CID 81203461

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[4-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]piperazin-1-yl]pentan-1-one?
The IUPAC name of 5-amino-1-[4-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]piperazin-1-yl]pentan-1-one (CID 158912310) is 5-amino-1-[4-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 5-amino-1-[4-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]piperazin-1-yl]pentan-1-one?
The canonical SMILES for 5-amino-1-[4-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]piperazin-1-yl]pentan-1-one is Cc1ccc(-n2nc(N3CCOC(CN4CCN(C(=O)CCCCN)CC4)C3)c3ccncc32)cc1.
What is the InChIKey of 5-amino-1-[4-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]piperazin-1-yl]pentan-1-one?
The InChIKey is JGUNCRAJNVTJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N7O2/c1-21-5-7-22(8-6-21)34-25-18-29-11-9-24(25)27(30-34)33-16-17-36-23(20-33)19-31-12-14-32(15-13-31)26(35)4-2-3-10-28/h5-9,11,18,23H,2-4,10,12-17,19-20,28H2,1H3.
What are the key properties of 5-amino-1-[4-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]piperazin-1-yl]pentan-1-one?
5-amino-1-[4-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]piperazin-1-yl]pentan-1-one has a molecular weight of 491.64 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[4-[[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methyl]piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 158912310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).