4-(4-cyclopropylimidazol-1-yl)-5-(3-morpholin-4-ylazetidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide

C28H30F3N9O2S — CID 134308516

IUPAC4-(4-cyclopropylimidazol-1-yl)-5-(3-morpholin-4-ylazetidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide
SMILESC[C@H](n1ccnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CC(N4CCOCC4)C3)cn2)cs1)C(F)(F)F
InChIInChI=1S/C28H30F3N9O2S/c1-17(28(29,30)31)40-5-4-32-25(40)27-36-24(15-43-27)35-26(41)20-10-22(39-14-21(34-16-39)18-2-3-18)23(11-33-20)38-12-19(13-38)37-6-8-42-9-7-37/h4-5,10-11,14-19H,2-3,6-9,12-13H2,1H3,(H,35,41)/t17-/m0/s1
InChIKeyFSVUXKHGJZWAIY-KRWDZBQOSA-N
MW613.67 g/mol
LogP4.36
Rot. Bonds8

About 4-(4-cyclopropylimidazol-1-yl)-5-(3-morpholin-4-ylazetidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide

4-(4-cyclopropylimidazol-1-yl)-5-(3-morpholin-4-ylazetidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide (PubChem CID 134308516) has the molecular formula C28H30F3N9O2S and a molecular weight of 613.67 g/mol. Its IUPAC name is 4-(4-cyclopropylimidazol-1-yl)-5-(3-morpholin-4-ylazetidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-cyclopropylimidazol-1-yl)-5-(3-morpholin-4-ylazetidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide
PubChem CID134308516
Molecular FormulaC28H30F3N9O2S
Molecular Weight613.67 g/mol
Exact Mass613.22
IUPAC Name4-(4-cyclopropylimidazol-1-yl)-5-(3-morpholin-4-ylazetidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide
SMILESC[C@H](n1ccnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CC(N4CCOCC4)C3)cn2)cs1)C(F)(F)F
InChIInChI=1S/C28H30F3N9O2S/c1-17(28(29,30)31)40-5-4-32-25(40)27-36-24(15-43-27)35-26(41)20-10-22(39-14-21(34-16-39)18-2-3-18)23(11-33-20)38-12-19(13-38)37-6-8-42-9-7-37/h4-5,10-11,14-19H,2-3,6-9,12-13H2,1H3,(H,35,41)/t17-/m0/s1
InChIKeyFSVUXKHGJZWAIY-KRWDZBQOSA-N
XLogP4.36
TPSA106.23 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.67
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 4-(4-cyclopropylimidazol-1-yl)-5-(3-morpholin-4-ylazetidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylimidazol-1-yl)-5-(3-morpholin-4-ylazetidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of 4-(4-cyclopropylimidazol-1-yl)-5-(3-morpholin-4-ylazetidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide (CID 134308516) is 4-(4-cyclopropylimidazol-1-yl)-5-(3-morpholin-4-ylazetidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-cyclopropylimidazol-1-yl)-5-(3-morpholin-4-ylazetidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-cyclopropylimidazol-1-yl)-5-(3-morpholin-4-ylazetidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide is C[C@H](n1ccnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CC(N4CCOCC4)C3)cn2)cs1)C(F)(F)F.
What is the InChIKey of 4-(4-cyclopropylimidazol-1-yl)-5-(3-morpholin-4-ylazetidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide?
The InChIKey is FSVUXKHGJZWAIY-KRWDZBQOSA-N. The full InChI is InChI=1S/C28H30F3N9O2S/c1-17(28(29,30)31)40-5-4-32-25(40)27-36-24(15-43-27)35-26(41)20-10-22(39-14-21(34-16-39)18-2-3-18)23(11-33-20)38-12-19(13-38)37-6-8-42-9-7-37/h4-5,10-11,14-19H,2-3,6-9,12-13H2,1H3,(H,35,41)/t17-/m0/s1.
What are the key properties of 4-(4-cyclopropylimidazol-1-yl)-5-(3-morpholin-4-ylazetidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide?
4-(4-cyclopropylimidazol-1-yl)-5-(3-morpholin-4-ylazetidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide has a molecular weight of 613.67 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylimidazol-1-yl)-5-(3-morpholin-4-ylazetidin-1-yl)-N-[2-[1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazol-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 134308516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).