1-[4-(2-fluorophenoxy)cyclohexyl]-N-methyl-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-6-amine

C28H34FN7O2 — CID 138715575

IUPAC1-[4-(2-fluorophenoxy)cyclohexyl]-N-methyl-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-6-amine
SMILESCNc1cc2c(cn1)c(-c1cnn(CCN3CCOCC3)c1)nn2C1CCC(Oc2ccccc2F)CC1
InChIInChI=1S/C28H34FN7O2/c1-30-27-16-25-23(18-31-27)28(20-17-32-35(19-20)11-10-34-12-14-37-15-13-34)33-36(25)21-6-8-22(9-7-21)38-26-5-3-2-4-24(26)29/h2-5,16-19,21-22H,6-15H2,1H3,(H,30,31)
InChIKeyGSIWZZFFJUGQGW-UHFFFAOYSA-N
MW519.63 g/mol
LogP4.37
Rot. Bonds8

About 1-[4-(2-fluorophenoxy)cyclohexyl]-N-methyl-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-6-amine

1-[4-(2-fluorophenoxy)cyclohexyl]-N-methyl-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 138715575) has the molecular formula C28H34FN7O2 and a molecular weight of 519.63 g/mol. Its IUPAC name is 1-[4-(2-fluorophenoxy)cyclohexyl]-N-methyl-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound Name1-[4-(2-fluorophenoxy)cyclohexyl]-N-methyl-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-6-amine
PubChem CID138715575
Molecular FormulaC28H34FN7O2
Molecular Weight519.63 g/mol
Exact Mass519.28
IUPAC Name1-[4-(2-fluorophenoxy)cyclohexyl]-N-methyl-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-6-amine
SMILESCNc1cc2c(cn1)c(-c1cnn(CCN3CCOCC3)c1)nn2C1CCC(Oc2ccccc2F)CC1
InChIInChI=1S/C28H34FN7O2/c1-30-27-16-25-23(18-31-27)28(20-17-32-35(19-20)11-10-34-12-14-37-15-13-34)33-36(25)21-6-8-22(9-7-21)38-26-5-3-2-4-24(26)29/h2-5,16-19,21-22H,6-15H2,1H3,(H,30,31)
InChIKeyGSIWZZFFJUGQGW-UHFFFAOYSA-N
XLogP4.37
TPSA82.26 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.63
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenoxy)cyclohexyl]-N-methyl-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of 1-[4-(2-fluorophenoxy)cyclohexyl]-N-methyl-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-6-amine (CID 138715575) is 1-[4-(2-fluorophenoxy)cyclohexyl]-N-methyl-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for 1-[4-(2-fluorophenoxy)cyclohexyl]-N-methyl-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for 1-[4-(2-fluorophenoxy)cyclohexyl]-N-methyl-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-6-amine is CNc1cc2c(cn1)c(-c1cnn(CCN3CCOCC3)c1)nn2C1CCC(Oc2ccccc2F)CC1.
What is the InChIKey of 1-[4-(2-fluorophenoxy)cyclohexyl]-N-methyl-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is GSIWZZFFJUGQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN7O2/c1-30-27-16-25-23(18-31-27)28(20-17-32-35(19-20)11-10-34-12-14-37-15-13-34)33-36(25)21-6-8-22(9-7-21)38-26-5-3-2-4-24(26)29/h2-5,16-19,21-22H,6-15H2,1H3,(H,30,31).
What are the key properties of 1-[4-(2-fluorophenoxy)cyclohexyl]-N-methyl-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-6-amine?
1-[4-(2-fluorophenoxy)cyclohexyl]-N-methyl-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 519.63 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenoxy)cyclohexyl]-N-methyl-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 138715575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).