N-[(R)-[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]-cyclopropylmethyl]-3-cyclopropyl-2,2-difluoropropanamide

C23H29F4N5O — CID 166500621

About N-[(R)-[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]-cyclopropylmethyl]-3-cyclopropyl-2,2-difluoropropanamide

N-[(R)-[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]-cyclopropylmethyl]-3-cyclopropyl-2,2-difluoropropanamide (PubChem CID 166500621) has the molecular formula C23H29F4N5O and a molecular weight of 467.51 g/mol. Its IUPAC name is N-[(R)-[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]-cyclopropylmethyl]-3-cyclopropyl-2,2-difluoropropanamide.

Molecular Properties

• Compound Name: N-[(R)-[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]-cyclopropylmethyl]-3-cyclopropyl-2,2-difluoropropanamide
• PubChem CID: 166500621
• Molecular Formula: C23H29F4N5O
• Molecular Weight: 467.51 g/mol
• Exact Mass: 467.23
• IUPAC Name: N-[(R)-[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]-cyclopropylmethyl]-3-cyclopropyl-2,2-difluoropropanamide
• SMILES: N[C@H](c1cn2ncc([C@H](NC(=O)C(F)(F)CC3CC3)C3CC3)cc2n1)C1CCC(F)(F)CC1
• InChI: InChI=1S/C23H29F4N5O/c24-22(25)7-5-14(6-8-22)19(28)17-12-32-18(30-17)9-16(11-29-32)20(15-3-4-15)31-21(33)23(26,27)10-13-1-2-13/h9,11-15,19-20H,1-8,10,28H2,(H,31,33)/t19-,20+/m0/s1
• InChIKey: VTFPGCHJZSOMFV-VQTJNVASSA-N
• XLogP: 4.56
• TPSA: 85.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.51
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(R)-[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]-cyclopropylmethyl]-3-cyclopropyl-2,2-difluoropropanamide?

The IUPAC name of N-[(R)-[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]-cyclopropylmethyl]-3-cyclopropyl-2,2-difluoropropanamide (CID 166500621) is N-[(R)-[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]-cyclopropylmethyl]-3-cyclopropyl-2,2-difluoropropanamide.

What is the SMILES notation for N-[(R)-[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]-cyclopropylmethyl]-3-cyclopropyl-2,2-difluoropropanamide?

The canonical SMILES for N-[(R)-[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]-cyclopropylmethyl]-3-cyclopropyl-2,2-difluoropropanamide is N[C@H](c1cn2ncc([C@H](NC(=O)C(F)(F)CC3CC3)C3CC3)cc2n1)C1CCC(F)(F)CC1.

What is the InChIKey of N-[(R)-[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]-cyclopropylmethyl]-3-cyclopropyl-2,2-difluoropropanamide?

The InChIKey is VTFPGCHJZSOMFV-VQTJNVASSA-N. The full InChI is InChI=1S/C23H29F4N5O/c24-22(25)7-5-14(6-8-22)19(28)17-12-32-18(30-17)9-16(11-29-32)20(15-3-4-15)31-21(33)23(26,27)10-13-1-2-13/h9,11-15,19-20H,1-8,10,28H2,(H,31,33)/t19-,20+/m0/s1.

What are the key properties of N-[(R)-[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]-cyclopropylmethyl]-3-cyclopropyl-2,2-difluoropropanamide?

N-[(R)-[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]-cyclopropylmethyl]-3-cyclopropyl-2,2-difluoropropanamide has a molecular weight of 467.51 g/mol, XLogP of 4.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(R)-[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]-cyclopropylmethyl]-3-cyclopropyl-2,2-difluoropropanamide is sourced from PubChem (CID 166500621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).