4-(4-ethylcyclohexyl)-6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine

C21H29N7O — CID 178015942

IUPAC4-(4-ethylcyclohexyl)-6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine
SMILESCCC1CCC(c2cc(N3CCOCC3)nc3c2c(N)nn3-c2ccn[nH]2)CC1
InChIInChI=1S/C21H29N7O/c1-2-14-3-5-15(6-4-14)16-13-18(27-9-11-29-12-10-27)24-21-19(16)20(22)26-28(21)17-7-8-23-25-17/h7-8,13-15H,2-6,9-12H2,1H3,(H2,22,26)(H,23,25)
InChIKeyFWILQBUDSYPAED-UHFFFAOYSA-N
MW395.51 g/mol
LogP3.25
Rot. Bonds4

About 4-(4-ethylcyclohexyl)-6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine

4-(4-ethylcyclohexyl)-6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine (PubChem CID 178015942) has the molecular formula C21H29N7O and a molecular weight of 395.51 g/mol. Its IUPAC name is 4-(4-ethylcyclohexyl)-6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine.

Molecular Properties

Compound Name4-(4-ethylcyclohexyl)-6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine
PubChem CID178015942
Molecular FormulaC21H29N7O
Molecular Weight395.51 g/mol
Exact Mass395.24
IUPAC Name4-(4-ethylcyclohexyl)-6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine
SMILESCCC1CCC(c2cc(N3CCOCC3)nc3c2c(N)nn3-c2ccn[nH]2)CC1
InChIInChI=1S/C21H29N7O/c1-2-14-3-5-15(6-4-14)16-13-18(27-9-11-29-12-10-27)24-21-19(16)20(22)26-28(21)17-7-8-23-25-17/h7-8,13-15H,2-6,9-12H2,1H3,(H2,22,26)(H,23,25)
InChIKeyFWILQBUDSYPAED-UHFFFAOYSA-N
XLogP3.25
TPSA97.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylcyclohexyl)-6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine?
The IUPAC name of 4-(4-ethylcyclohexyl)-6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine (CID 178015942) is 4-(4-ethylcyclohexyl)-6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine.
What is the SMILES notation for 4-(4-ethylcyclohexyl)-6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine?
The canonical SMILES for 4-(4-ethylcyclohexyl)-6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine is CCC1CCC(c2cc(N3CCOCC3)nc3c2c(N)nn3-c2ccn[nH]2)CC1.
What is the InChIKey of 4-(4-ethylcyclohexyl)-6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine?
The InChIKey is FWILQBUDSYPAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7O/c1-2-14-3-5-15(6-4-14)16-13-18(27-9-11-29-12-10-27)24-21-19(16)20(22)26-28(21)17-7-8-23-25-17/h7-8,13-15H,2-6,9-12H2,1H3,(H2,22,26)(H,23,25).
What are the key properties of 4-(4-ethylcyclohexyl)-6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine?
4-(4-ethylcyclohexyl)-6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine has a molecular weight of 395.51 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylcyclohexyl)-6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine is sourced from PubChem (CID 178015942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).