5-[1-cyclopentyl-5-[(1R,5S)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine

C24H31F2N5O2 — CID 118161614

IUPAC5-[1-cyclopentyl-5-[(1R,5S)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine
SMILESNc1ncc(-c2cc(C3[C@H]4CC(N5CCOCC5)C[C@@H]34)n(C3CCCC3)n2)cc1OC(F)F
InChIInChI=1S/C24H31F2N5O2/c25-24(26)33-21-9-14(13-28-23(21)27)19-12-20(31(29-19)15-3-1-2-4-15)22-17-10-16(11-18(17)22)30-5-7-32-8-6-30/h9,12-13,15-18,22,24H,1-8,10-11H2,(H2,27,28)/t16?,17-,18+,22?
InChIKeyOVAPTOHNOURLQQ-CXOKAFIMSA-N
MW459.54 g/mol
LogP4.07
Rot. Bonds6

About 5-[1-cyclopentyl-5-[(1R,5S)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine

5-[1-cyclopentyl-5-[(1R,5S)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine (PubChem CID 118161614) has the molecular formula C24H31F2N5O2 and a molecular weight of 459.54 g/mol. Its IUPAC name is 5-[1-cyclopentyl-5-[(1R,5S)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-[1-cyclopentyl-5-[(1R,5S)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine
PubChem CID118161614
Molecular FormulaC24H31F2N5O2
Molecular Weight459.54 g/mol
Exact Mass459.24
IUPAC Name5-[1-cyclopentyl-5-[(1R,5S)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine
SMILESNc1ncc(-c2cc(C3[C@H]4CC(N5CCOCC5)C[C@@H]34)n(C3CCCC3)n2)cc1OC(F)F
InChIInChI=1S/C24H31F2N5O2/c25-24(26)33-21-9-14(13-28-23(21)27)19-12-20(31(29-19)15-3-1-2-4-15)22-17-10-16(11-18(17)22)30-5-7-32-8-6-30/h9,12-13,15-18,22,24H,1-8,10-11H2,(H2,27,28)/t16?,17-,18+,22?
InChIKeyOVAPTOHNOURLQQ-CXOKAFIMSA-N
XLogP4.07
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[1-cyclopentyl-5-[(1R,5S)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1-cyclopentyl-5-[(1R,5S)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine?
The IUPAC name of 5-[1-cyclopentyl-5-[(1R,5S)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine (CID 118161614) is 5-[1-cyclopentyl-5-[(1R,5S)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 5-[1-cyclopentyl-5-[(1R,5S)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine?
The canonical SMILES for 5-[1-cyclopentyl-5-[(1R,5S)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine is Nc1ncc(-c2cc(C3[C@H]4CC(N5CCOCC5)C[C@@H]34)n(C3CCCC3)n2)cc1OC(F)F.
What is the InChIKey of 5-[1-cyclopentyl-5-[(1R,5S)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine?
The InChIKey is OVAPTOHNOURLQQ-CXOKAFIMSA-N. The full InChI is InChI=1S/C24H31F2N5O2/c25-24(26)33-21-9-14(13-28-23(21)27)19-12-20(31(29-19)15-3-1-2-4-15)22-17-10-16(11-18(17)22)30-5-7-32-8-6-30/h9,12-13,15-18,22,24H,1-8,10-11H2,(H2,27,28)/t16?,17-,18+,22?.
What are the key properties of 5-[1-cyclopentyl-5-[(1R,5S)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine?
5-[1-cyclopentyl-5-[(1R,5S)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine has a molecular weight of 459.54 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-cyclopentyl-5-[(1R,5S)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 118161614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).