3-(difluoromethoxy)-5-[5-[(1R,5S)-3-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine

C24H32F3N5O2 — CID 118161571

IUPAC3-(difluoromethoxy)-5-[5-[(1R,5S)-3-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
SMILESCOCC1(F)CCN(C2C[C@@H]3C(c4cc(-c5cnc(N)c(OC(F)F)c5)nn4C(C)C)[C@@H]3C2)C1
InChIInChI=1S/C24H32F3N5O2/c1-13(2)32-19(9-18(30-32)14-6-20(34-23(25)26)22(28)29-10-14)21-16-7-15(8-17(16)21)31-5-4-24(27,11-31)12-33-3/h6,9-10,13,15-17,21,23H,4-5,7-8,11-12H2,1-3H3,(H2,28,29)/t15?,16-,17+,21?,24?
InChIKeyYIBDUGQAYXIQFC-WRCFNVENSA-N
MW479.55 g/mol
LogP4.26
Rot. Bonds8

About 3-(difluoromethoxy)-5-[5-[(1R,5S)-3-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine

3-(difluoromethoxy)-5-[5-[(1R,5S)-3-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine (PubChem CID 118161571) has the molecular formula C24H32F3N5O2 and a molecular weight of 479.55 g/mol. Its IUPAC name is 3-(difluoromethoxy)-5-[5-[(1R,5S)-3-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-(difluoromethoxy)-5-[5-[(1R,5S)-3-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
PubChem CID118161571
Molecular FormulaC24H32F3N5O2
Molecular Weight479.55 g/mol
Exact Mass479.25
IUPAC Name3-(difluoromethoxy)-5-[5-[(1R,5S)-3-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
SMILESCOCC1(F)CCN(C2C[C@@H]3C(c4cc(-c5cnc(N)c(OC(F)F)c5)nn4C(C)C)[C@@H]3C2)C1
InChIInChI=1S/C24H32F3N5O2/c1-13(2)32-19(9-18(30-32)14-6-20(34-23(25)26)22(28)29-10-14)21-16-7-15(8-17(16)21)31-5-4-24(27,11-31)12-33-3/h6,9-10,13,15-17,21,23H,4-5,7-8,11-12H2,1-3H3,(H2,28,29)/t15?,16-,17+,21?,24?
InChIKeyYIBDUGQAYXIQFC-WRCFNVENSA-N
XLogP4.26
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.55
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(difluoromethoxy)-5-[5-[(1R,5S)-3-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-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-[(1R,5S)-3-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
The IUPAC name of 3-(difluoromethoxy)-5-[5-[(1R,5S)-3-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine (CID 118161571) is 3-(difluoromethoxy)-5-[5-[(1R,5S)-3-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-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-[(1R,5S)-3-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
The canonical SMILES for 3-(difluoromethoxy)-5-[5-[(1R,5S)-3-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine is COCC1(F)CCN(C2C[C@@H]3C(c4cc(-c5cnc(N)c(OC(F)F)c5)nn4C(C)C)[C@@H]3C2)C1.
What is the InChIKey of 3-(difluoromethoxy)-5-[5-[(1R,5S)-3-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
The InChIKey is YIBDUGQAYXIQFC-WRCFNVENSA-N. The full InChI is InChI=1S/C24H32F3N5O2/c1-13(2)32-19(9-18(30-32)14-6-20(34-23(25)26)22(28)29-10-14)21-16-7-15(8-17(16)21)31-5-4-24(27,11-31)12-33-3/h6,9-10,13,15-17,21,23H,4-5,7-8,11-12H2,1-3H3,(H2,28,29)/t15?,16-,17+,21?,24?.
What are the key properties of 3-(difluoromethoxy)-5-[5-[(1R,5S)-3-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
3-(difluoromethoxy)-5-[5-[(1R,5S)-3-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine has a molecular weight of 479.55 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-5-[5-[(1R,5S)-3-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 118161571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).