4-N-[2-(2,6-dichlorophenyl)-7-methylpyrazolo[4,3-c]pyridin-4-yl]pyrimidine-4,6-diamine

C17H13Cl2N7 — CID 67700761

IUPAC4-N-[2-(2,6-dichlorophenyl)-7-methylpyrazolo[4,3-c]pyridin-4-yl]pyrimidine-4,6-diamine
SMILESCc1cnc(Nc2cc(N)ncn2)c2cn(-c3c(Cl)cccc3Cl)nc12
InChIInChI=1S/C17H13Cl2N7/c1-9-6-21-17(24-14-5-13(20)22-8-23-14)10-7-26(25-15(9)10)16-11(18)3-2-4-12(16)19/h2-8H,1H3,(H3,20,21,22,23,24)
InChIKeyURPZITACOOUSEG-UHFFFAOYSA-N
MW386.25 g/mol
LogP4.15
Rot. Bonds3

About 4-N-[2-(2,6-dichlorophenyl)-7-methylpyrazolo[4,3-c]pyridin-4-yl]pyrimidine-4,6-diamine

4-N-[2-(2,6-dichlorophenyl)-7-methylpyrazolo[4,3-c]pyridin-4-yl]pyrimidine-4,6-diamine (PubChem CID 67700761) has the molecular formula C17H13Cl2N7 and a molecular weight of 386.25 g/mol. Its IUPAC name is 4-N-[2-(2,6-dichlorophenyl)-7-methylpyrazolo[4,3-c]pyridin-4-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(2,6-dichlorophenyl)-7-methylpyrazolo[4,3-c]pyridin-4-yl]pyrimidine-4,6-diamine
PubChem CID67700761
Molecular FormulaC17H13Cl2N7
Molecular Weight386.25 g/mol
Exact Mass385.06
IUPAC Name4-N-[2-(2,6-dichlorophenyl)-7-methylpyrazolo[4,3-c]pyridin-4-yl]pyrimidine-4,6-diamine
SMILESCc1cnc(Nc2cc(N)ncn2)c2cn(-c3c(Cl)cccc3Cl)nc12
InChIInChI=1S/C17H13Cl2N7/c1-9-6-21-17(24-14-5-13(20)22-8-23-14)10-7-26(25-15(9)10)16-11(18)3-2-4-12(16)19/h2-8H,1H3,(H3,20,21,22,23,24)
InChIKeyURPZITACOOUSEG-UHFFFAOYSA-N
XLogP4.15
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-bromo-2-(2,6-dichlorophenyl)-7-methylpyrazolo[4,3-c]pyridine
CID 86697074
6-chloro-N-(2-chloro-6-methylphenyl)pyrimidin-4-amine
CID 66255009
N'-[(1Z)-1-[[7-bromo-2-(2,6-dichlorophenyl)pyrazolo[4,3-c]pyridin-4-yl]amino]-3-methylbuta-1,3-dienyl]methanimidamide
CID 173324542
4-N-isoquinolin-1-ylpyrimidine-4,6-diamine
CID 117086445
3-chloro-2-(3,4-dimethylpyrazol-1-yl)aniline
CID 154882278
4-N-(5-chloro-3-methylsulfonyl-2-pyridinyl)pyrimidine-4,6-diamine
CID 172624279
2-(2,6-dichlorophenyl)-5,7-dimethylpyrazolo[4,3-c]pyridin-5-ium
CID 123570809
4-N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine
CID 66807105
4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine
CID 80849150
4-N-(3-chloro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80762667
4-N-phenylpyrimidine-4,6-diamine
CID 3031502
4-N-(2-amino-4,5-dichlorophenyl)pyrimidine-4,6-diamine
CID 89380661

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2,6-dichlorophenyl)-7-methylpyrazolo[4,3-c]pyridin-4-yl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(2,6-dichlorophenyl)-7-methylpyrazolo[4,3-c]pyridin-4-yl]pyrimidine-4,6-diamine (CID 67700761) is 4-N-[2-(2,6-dichlorophenyl)-7-methylpyrazolo[4,3-c]pyridin-4-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(2,6-dichlorophenyl)-7-methylpyrazolo[4,3-c]pyridin-4-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(2,6-dichlorophenyl)-7-methylpyrazolo[4,3-c]pyridin-4-yl]pyrimidine-4,6-diamine is Cc1cnc(Nc2cc(N)ncn2)c2cn(-c3c(Cl)cccc3Cl)nc12.
What is the InChIKey of 4-N-[2-(2,6-dichlorophenyl)-7-methylpyrazolo[4,3-c]pyridin-4-yl]pyrimidine-4,6-diamine?
The InChIKey is URPZITACOOUSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N7/c1-9-6-21-17(24-14-5-13(20)22-8-23-14)10-7-26(25-15(9)10)16-11(18)3-2-4-12(16)19/h2-8H,1H3,(H3,20,21,22,23,24).
What are the key properties of 4-N-[2-(2,6-dichlorophenyl)-7-methylpyrazolo[4,3-c]pyridin-4-yl]pyrimidine-4,6-diamine?
4-N-[2-(2,6-dichlorophenyl)-7-methylpyrazolo[4,3-c]pyridin-4-yl]pyrimidine-4,6-diamine has a molecular weight of 386.25 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2,6-dichlorophenyl)-7-methylpyrazolo[4,3-c]pyridin-4-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 67700761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).