3-chloro-5-[1-[(2,2-difluorocyclopropyl)methyl]-5-[(1R,5S)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine

C20H24ClF2N5O — CID 90292703

About 3-chloro-5-[1-[(2,2-difluorocyclopropyl)methyl]-5-[(1R,5S)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine

3-chloro-5-[1-[(2,2-difluorocyclopropyl)methyl]-5-[(1R,5S)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine (PubChem CID 90292703) has the molecular formula C20H24ClF2N5O and a molecular weight of 423.90 g/mol. Its IUPAC name is 3-chloro-5-[1-[(2,2-difluorocyclopropyl)methyl]-5-[(1R,5S)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 3-chloro-5-[1-[(2,2-difluorocyclopropyl)methyl]-5-[(1R,5S)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine
• PubChem CID: 90292703
• Molecular Formula: C20H24ClF2N5O
• Molecular Weight: 423.90 g/mol
• Exact Mass: 423.16
• IUPAC Name: 3-chloro-5-[1-[(2,2-difluorocyclopropyl)methyl]-5-[(1R,5S)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine
• SMILES: COCCN1C[C@@H]2C(c3cc(-c4cnc(N)c(Cl)c4)nn3CC3CC3(F)F)[C@@H]2C1
• InChI: InChI=1S/C20H24ClF2N5O/c1-29-3-2-27-9-13-14(10-27)18(13)17-5-16(11-4-15(21)19(24)25-7-11)26-28(17)8-12-6-20(12,22)23/h4-5,7,12-14,18H,2-3,6,8-10H2,1H3,(H2,24,25)/t12?,13-,14+,18?
• InChIKey: KWCDKBAEJKBJRU-MBIJGJCISA-N
• XLogP: 3.13
• TPSA: 69.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.90
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[1-[(2,2-difluorocyclopropyl)methyl]-5-[(1R,5S)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine?

The IUPAC name of 3-chloro-5-[1-[(2,2-difluorocyclopropyl)methyl]-5-[(1R,5S)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine (CID 90292703) is 3-chloro-5-[1-[(2,2-difluorocyclopropyl)methyl]-5-[(1R,5S)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine.

What is the SMILES notation for 3-chloro-5-[1-[(2,2-difluorocyclopropyl)methyl]-5-[(1R,5S)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine?

The canonical SMILES for 3-chloro-5-[1-[(2,2-difluorocyclopropyl)methyl]-5-[(1R,5S)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine is COCCN1C[C@@H]2C(c3cc(-c4cnc(N)c(Cl)c4)nn3CC3CC3(F)F)[C@@H]2C1.

What is the InChIKey of 3-chloro-5-[1-[(2,2-difluorocyclopropyl)methyl]-5-[(1R,5S)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine?

The InChIKey is KWCDKBAEJKBJRU-MBIJGJCISA-N. The full InChI is InChI=1S/C20H24ClF2N5O/c1-29-3-2-27-9-13-14(10-27)18(13)17-5-16(11-4-15(21)19(24)25-7-11)26-28(17)8-12-6-20(12,22)23/h4-5,7,12-14,18H,2-3,6,8-10H2,1H3,(H2,24,25)/t12?,13-,14+,18?.

What are the key properties of 3-chloro-5-[1-[(2,2-difluorocyclopropyl)methyl]-5-[(1R,5S)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine?

3-chloro-5-[1-[(2,2-difluorocyclopropyl)methyl]-5-[(1R,5S)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine has a molecular weight of 423.90 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-5-[1-[(2,2-difluorocyclopropyl)methyl]-5-[(1R,5S)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 90292703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).