N-ethyl-1-[4-[[3-fluoro-4-(methylamino)-2-pyridinyl]oxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine

C24H29FN8O — CID 138682693

IUPACN-ethyl-1-[4-[[3-fluoro-4-(methylamino)-2-pyridinyl]oxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2nccc(NC)c2F)CC1
InChIInChI=1S/C24H29FN8O/c1-4-27-21-11-20-18(13-29-21)23(15-12-30-32(3)14-15)31-33(20)16-5-7-17(8-6-16)34-24-22(25)19(26-2)9-10-28-24/h9-14,16-17H,4-8H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyOYRAZNGOSIVXEX-UHFFFAOYSA-N
MW464.55 g/mol
LogP4.40
Rot. Bonds7

About N-ethyl-1-[4-[[3-fluoro-4-(methylamino)-2-pyridinyl]oxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine

N-ethyl-1-[4-[[3-fluoro-4-(methylamino)-2-pyridinyl]oxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 138682693) has the molecular formula C24H29FN8O and a molecular weight of 464.55 g/mol. Its IUPAC name is N-ethyl-1-[4-[[3-fluoro-4-(methylamino)-2-pyridinyl]oxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound NameN-ethyl-1-[4-[[3-fluoro-4-(methylamino)-2-pyridinyl]oxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
PubChem CID138682693
Molecular FormulaC24H29FN8O
Molecular Weight464.55 g/mol
Exact Mass464.24
IUPAC NameN-ethyl-1-[4-[[3-fluoro-4-(methylamino)-2-pyridinyl]oxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2nccc(NC)c2F)CC1
InChIInChI=1S/C24H29FN8O/c1-4-27-21-11-20-18(13-29-21)23(15-12-30-32(3)14-15)31-33(20)16-5-7-17(8-6-16)34-24-22(25)19(26-2)9-10-28-24/h9-14,16-17H,4-8H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyOYRAZNGOSIVXEX-UHFFFAOYSA-N
XLogP4.40
TPSA94.71 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-[[3-fluoro-4-(methylamino)-2-pyridinyl]oxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of N-ethyl-1-[4-[[3-fluoro-4-(methylamino)-2-pyridinyl]oxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine (CID 138682693) is N-ethyl-1-[4-[[3-fluoro-4-(methylamino)-2-pyridinyl]oxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for N-ethyl-1-[4-[[3-fluoro-4-(methylamino)-2-pyridinyl]oxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for N-ethyl-1-[4-[[3-fluoro-4-(methylamino)-2-pyridinyl]oxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine is CCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2nccc(NC)c2F)CC1.
What is the InChIKey of N-ethyl-1-[4-[[3-fluoro-4-(methylamino)-2-pyridinyl]oxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is OYRAZNGOSIVXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN8O/c1-4-27-21-11-20-18(13-29-21)23(15-12-30-32(3)14-15)31-33(20)16-5-7-17(8-6-16)34-24-22(25)19(26-2)9-10-28-24/h9-14,16-17H,4-8H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of N-ethyl-1-[4-[[3-fluoro-4-(methylamino)-2-pyridinyl]oxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
N-ethyl-1-[4-[[3-fluoro-4-(methylamino)-2-pyridinyl]oxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 464.55 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-[[3-fluoro-4-(methylamino)-2-pyridinyl]oxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 138682693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).