N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide

C30H32FN7O2 — CID 53261963

IUPACN-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CC[C@@H](F)C5)ccn34)c12
InChIInChI=1S/C30H32FN7O2/c1-3-24-29-25(8-5-9-26(29)38(35-24)19-22-7-4-6-20(2)33-22)34-30(39)27-17-32-28-16-23(11-13-37(27)28)40-15-14-36-12-10-21(31)18-36/h4-9,11,13,16-17,21H,3,10,12,14-15,18-19H2,1-2H3,(H,34,39)/t21-/m1/s1
InChIKeyWROWUZJYTYKDLR-OAQYLSRUSA-N
MW541.63 g/mol
LogP4.67
Rot. Bonds9

About N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide

N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 53261963) has the molecular formula C30H32FN7O2 and a molecular weight of 541.63 g/mol. Its IUPAC name is N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID53261963
Molecular FormulaC30H32FN7O2
Molecular Weight541.63 g/mol
Exact Mass541.26
IUPAC NameN-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CC[C@@H](F)C5)ccn34)c12
InChIInChI=1S/C30H32FN7O2/c1-3-24-29-25(8-5-9-26(29)38(35-24)19-22-7-4-6-20(2)33-22)34-30(39)27-17-32-28-16-23(11-13-37(27)28)40-15-14-36-12-10-21(31)18-36/h4-9,11,13,16-17,21H,3,10,12,14-15,18-19H2,1-2H3,(H,34,39)/t21-/m1/s1
InChIKeyWROWUZJYTYKDLR-OAQYLSRUSA-N
XLogP4.67
TPSA89.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.63
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (CID 53261963) is N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CC[C@@H](F)C5)ccn34)c12.
What is the InChIKey of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is WROWUZJYTYKDLR-OAQYLSRUSA-N. The full InChI is InChI=1S/C30H32FN7O2/c1-3-24-29-25(8-5-9-26(29)38(35-24)19-22-7-4-6-20(2)33-22)34-30(39)27-17-32-28-16-23(11-13-37(27)28)40-15-14-36-12-10-21(31)18-36/h4-9,11,13,16-17,21H,3,10,12,14-15,18-19H2,1-2H3,(H,34,39)/t21-/m1/s1.
What are the key properties of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 541.63 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 53261963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).