(4S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine

C18H21ClN6 — CID 42591832

IUPAC(4S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCc1nn(C)c(Cl)c1CN[C@H]1CCCc2c1cnn2-c1ccccn1
InChIInChI=1S/C18H21ClN6/c1-12-13(18(19)24(2)23-12)10-21-15-6-5-7-16-14(15)11-22-25(16)17-8-3-4-9-20-17/h3-4,8-9,11,15,21H,5-7,10H2,1-2H3/t15-/m0/s1
InChIKeyNENDBKCNKWCNBC-HNNXBMFYSA-N
MW356.86 g/mol
LogP3.13
Rot. Bonds4

About (4S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine

(4S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 42591832) has the molecular formula C18H21ClN6 and a molecular weight of 356.86 g/mol. Its IUPAC name is (4S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name(4S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID42591832
Molecular FormulaC18H21ClN6
Molecular Weight356.86 g/mol
Exact Mass356.15
IUPAC Name(4S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCc1nn(C)c(Cl)c1CN[C@H]1CCCc2c1cnn2-c1ccccn1
InChIInChI=1S/C18H21ClN6/c1-12-13(18(19)24(2)23-12)10-21-15-6-5-7-16-14(15)11-22-25(16)17-8-3-4-9-20-17/h3-4,8-9,11,15,21H,5-7,10H2,1-2H3/t15-/m0/s1
InChIKeyNENDBKCNKWCNBC-HNNXBMFYSA-N
XLogP3.13
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[(2-chlorophenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 45176390
N-ethyl-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 65356388
N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 45169911
(4R)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 42198835
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 45190278
(4R)-N-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 42198917
(4R)-N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 42532152
(4S)-N-(isoquinolin-5-ylmethyl)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 42516599
2,2-dimethyl-3-[(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol
CID 45210671
(4S)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 26407661
(4S)-N-[(3-methylsulfanylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 42517960
N-[(6-chloroquinolin-2-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 45238028

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of (4S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine (CID 42591832) is (4S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for (4S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for (4S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine is Cc1nn(C)c(Cl)c1CN[C@H]1CCCc2c1cnn2-c1ccccn1.
What is the InChIKey of (4S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is NENDBKCNKWCNBC-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21ClN6/c1-12-13(18(19)24(2)23-12)10-21-15-6-5-7-16-14(15)11-22-25(16)17-8-3-4-9-20-17/h3-4,8-9,11,15,21H,5-7,10H2,1-2H3/t15-/m0/s1.
What are the key properties of (4S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine?
(4S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 356.86 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 42591832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).