3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine

C25H34F2N6O2 — CID 118161638

IUPAC3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
SMILESCC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C1[C@H]2CC(N3CC4(CN(C)CCO4)C3)C[C@@H]12
InChIInChI=1S/C25H34F2N6O2/c1-14(2)33-20(9-19(30-33)15-6-21(35-24(26)27)23(28)29-10-15)22-17-7-16(8-18(17)22)32-12-25(13-32)11-31(3)4-5-34-25/h6,9-10,14,16-18,22,24H,4-5,7-8,11-13H2,1-3H3,(H2,28,29)/t16?,17-,18+,22?
InChIKeyMIMBJWZIDGSXJG-CXOKAFIMSA-N
MW488.58 g/mol
LogP3.22
Rot. Bonds6

About 3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine

3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine (PubChem CID 118161638) has the molecular formula C25H34F2N6O2 and a molecular weight of 488.58 g/mol. Its IUPAC name is 3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
PubChem CID118161638
Molecular FormulaC25H34F2N6O2
Molecular Weight488.58 g/mol
Exact Mass488.27
IUPAC Name3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
SMILESCC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C1[C@H]2CC(N3CC4(CN(C)CCO4)C3)C[C@@H]12
InChIInChI=1S/C25H34F2N6O2/c1-14(2)33-20(9-19(30-33)15-6-21(35-24(26)27)23(28)29-10-15)22-17-7-16(8-18(17)22)32-12-25(13-32)11-31(3)4-5-34-25/h6,9-10,14,16-18,22,24H,4-5,7-8,11-13H2,1-3H3,(H2,28,29)/t16?,17-,18+,22?
InChIKeyMIMBJWZIDGSXJG-CXOKAFIMSA-N
XLogP3.22
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.58
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
The IUPAC name of 3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine (CID 118161638) is 3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine.
What is the SMILES notation for 3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
The canonical SMILES for 3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine is CC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C1[C@H]2CC(N3CC4(CN(C)CCO4)C3)C[C@@H]12.
What is the InChIKey of 3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
The InChIKey is MIMBJWZIDGSXJG-CXOKAFIMSA-N. The full InChI is InChI=1S/C25H34F2N6O2/c1-14(2)33-20(9-19(30-33)15-6-21(35-24(26)27)23(28)29-10-15)22-17-7-16(8-18(17)22)32-12-25(13-32)11-31(3)4-5-34-25/h6,9-10,14,16-18,22,24H,4-5,7-8,11-13H2,1-3H3,(H2,28,29)/t16?,17-,18+,22?.
What are the key properties of 3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine has a molecular weight of 488.58 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 118161638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).