N-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-6-cyclopropyl-1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

C22H24ClN5O3 — CID 100653040

IUPACN-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-6-cyclopropyl-1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCn1[nH]c(=O)c2c(C(=O)Nc3ccc(Cl)c(CN4CCOCC4)c3)cc(C3CC3)nc21
InChIInChI=1S/C22H24ClN5O3/c1-27-20-19(22(30)26-27)16(11-18(25-20)13-2-3-13)21(29)24-15-4-5-17(23)14(10-15)12-28-6-8-31-9-7-28/h4-5,10-11,13H,2-3,6-9,12H2,1H3,(H,24,29)(H,26,30)
InChIKeyPGTXHTARFHGQJG-UHFFFAOYSA-N
MW441.92 g/mol
LogP2.88
Rot. Bonds5

About N-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-6-cyclopropyl-1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

N-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-6-cyclopropyl-1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 100653040) has the molecular formula C22H24ClN5O3 and a molecular weight of 441.92 g/mol. Its IUPAC name is N-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-6-cyclopropyl-1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-6-cyclopropyl-1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID100653040
Molecular FormulaC22H24ClN5O3
Molecular Weight441.92 g/mol
Exact Mass441.16
IUPAC NameN-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-6-cyclopropyl-1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCn1[nH]c(=O)c2c(C(=O)Nc3ccc(Cl)c(CN4CCOCC4)c3)cc(C3CC3)nc21
InChIInChI=1S/C22H24ClN5O3/c1-27-20-19(22(30)26-27)16(11-18(25-20)13-2-3-13)21(29)24-15-4-5-17(23)14(10-15)12-28-6-8-31-9-7-28/h4-5,10-11,13H,2-3,6-9,12H2,1H3,(H,24,29)(H,26,30)
InChIKeyPGTXHTARFHGQJG-UHFFFAOYSA-N
XLogP2.88
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyclopropyl-N-[3-(3,4-dichlorophenyl)-3-hydroxypropyl]-1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 166228325
7-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39266376
3,6-dicyclopropyl-1-methyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 17026037
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-6-methoxy-2H-benzotriazole-5-carboxamide
CID 155949254
N-(4-anilinophenyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 37126644
7-cyclopropyl-1-methyl-N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 166190899
6-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 120889439
6-cyclopropyl-1-methyl-3-oxo-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 166216719
N-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-4-(4-methoxyphenoxy)butanamide
CID 100651350
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 75520570
7-cyclopropyl-2,4-dioxo-N-[4-(propan-2-ylcarbamoyl)phenyl]-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55887282
6-cyclopropyl-N-(3,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46809415

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-6-cyclopropyl-1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-6-cyclopropyl-1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (CID 100653040) is N-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-6-cyclopropyl-1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-6-cyclopropyl-1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-6-cyclopropyl-1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is Cn1[nH]c(=O)c2c(C(=O)Nc3ccc(Cl)c(CN4CCOCC4)c3)cc(C3CC3)nc21.
What is the InChIKey of N-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-6-cyclopropyl-1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is PGTXHTARFHGQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O3/c1-27-20-19(22(30)26-27)16(11-18(25-20)13-2-3-13)21(29)24-15-4-5-17(23)14(10-15)12-28-6-8-31-9-7-28/h4-5,10-11,13H,2-3,6-9,12H2,1H3,(H,24,29)(H,26,30).
What are the key properties of N-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-6-cyclopropyl-1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
N-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-6-cyclopropyl-1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 441.92 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-6-cyclopropyl-1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 100653040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).