N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]acetamide

C20H19ClN6O — CID 153070021

IUPACN-[(1R)-1-(3-chlorophenyl)ethyl]-2-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]acetamide
SMILESC[C@@H](NC(=O)Cc1cc2cnn(-c3cnn(C)c3)c2cn1)c1cccc(Cl)c1
InChIInChI=1S/C20H19ClN6O/c1-13(14-4-3-5-16(21)6-14)25-20(28)8-17-7-15-9-24-27(19(15)11-22-17)18-10-23-26(2)12-18/h3-7,9-13H,8H2,1-2H3,(H,25,28)/t13-/m1/s1
InChIKeyVLDZXYNFZAMLDZ-CYBMUJFWSA-N
MW394.87 g/mol
LogP3.23
Rot. Bonds5

About N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]acetamide

N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]acetamide (PubChem CID 153070021) has the molecular formula C20H19ClN6O and a molecular weight of 394.87 g/mol. Its IUPAC name is N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-chlorophenyl)ethyl]-2-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]acetamide
PubChem CID153070021
Molecular FormulaC20H19ClN6O
Molecular Weight394.87 g/mol
Exact Mass394.13
IUPAC NameN-[(1R)-1-(3-chlorophenyl)ethyl]-2-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]acetamide
SMILESC[C@@H](NC(=O)Cc1cc2cnn(-c3cnn(C)c3)c2cn1)c1cccc(Cl)c1
InChIInChI=1S/C20H19ClN6O/c1-13(14-4-3-5-16(21)6-14)25-20(28)8-17-7-15-9-24-27(19(15)11-22-17)18-10-23-26(2)12-18/h3-7,9-13H,8H2,1-2H3,(H,25,28)/t13-/m1/s1
InChIKeyVLDZXYNFZAMLDZ-CYBMUJFWSA-N
XLogP3.23
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.87
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 47097501
N-[1-(3-chlorophenyl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51205987
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710
N-[1-(3-chlorophenyl)ethyl]-2-(4-propylpiperazin-1-yl)acetamide
CID 4789308
2-(4-bromophenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 9164817
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 8587355
1-[(3-chloro-4-fluorophenyl)methyl]-3-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]urea
CID 121416450
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 92538097
2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 8904150
N-[1-(3-chlorophenyl)ethyl]-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 18193496
N-[4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 51185034
N-[1-(3-chlorophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 54913622

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]acetamide?
The IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]acetamide (CID 153070021) is N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]acetamide?
The canonical SMILES for N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]acetamide is C[C@@H](NC(=O)Cc1cc2cnn(-c3cnn(C)c3)c2cn1)c1cccc(Cl)c1.
What is the InChIKey of N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]acetamide?
The InChIKey is VLDZXYNFZAMLDZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H19ClN6O/c1-13(14-4-3-5-16(21)6-14)25-20(28)8-17-7-15-9-24-27(19(15)11-22-17)18-10-23-26(2)12-18/h3-7,9-13H,8H2,1-2H3,(H,25,28)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]acetamide?
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]acetamide has a molecular weight of 394.87 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 153070021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).