N-[3-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide

C30H33N7O3S — CID 57388102

IUPACN-[3-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nn(Cc2csc(C(C)C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CC6(COC6)C5)ccn34)c12
InChIInChI=1S/C30H33N7O3S/c1-19(2)29-32-21(14-41-29)13-37-24-6-4-5-23(27(24)20(3)34-37)33-28(38)25-12-31-26-11-22(7-8-36(25)26)40-10-9-35-15-30(16-35)17-39-18-30/h4-8,11-12,14,19H,9-10,13,15-18H2,1-3H3,(H,33,38)
InChIKeyQGGGIDYGVZKIRX-UHFFFAOYSA-N
MW571.71 g/mol
LogP4.58
Rot. Bonds9

About N-[3-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide

N-[3-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 57388102) has the molecular formula C30H33N7O3S and a molecular weight of 571.71 g/mol. Its IUPAC name is N-[3-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID57388102
Molecular FormulaC30H33N7O3S
Molecular Weight571.71 g/mol
Exact Mass571.24
IUPAC NameN-[3-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nn(Cc2csc(C(C)C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CC6(COC6)C5)ccn34)c12
InChIInChI=1S/C30H33N7O3S/c1-19(2)29-32-21(14-41-29)13-37-24-6-4-5-23(27(24)20(3)34-37)33-28(38)25-12-31-26-11-22(7-8-36(25)26)40-10-9-35-15-30(16-35)17-39-18-30/h4-8,11-12,14,19H,9-10,13,15-18H2,1-3H3,(H,33,38)
InChIKeyQGGGIDYGVZKIRX-UHFFFAOYSA-N
XLogP4.58
TPSA98.81 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.71
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[3-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (CID 57388102) is N-[3-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[3-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is Cc1nn(Cc2csc(C(C)C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CC6(COC6)C5)ccn34)c12.
What is the InChIKey of N-[3-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is QGGGIDYGVZKIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7O3S/c1-19(2)29-32-21(14-41-29)13-37-24-6-4-5-23(27(24)20(3)34-37)33-28(38)25-12-31-26-11-22(7-8-36(25)26)40-10-9-35-15-30(16-35)17-39-18-30/h4-8,11-12,14,19H,9-10,13,15-18H2,1-3H3,(H,33,38).
What are the key properties of N-[3-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
N-[3-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 571.71 g/mol, XLogP of 4.58, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 57388102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).