N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(1-methylpiperidin-4-yl)oxyimidazo[1,2-a]pyridine-3-carboxamide

C31H33N7O2 — CID 67259753

IUPACN-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(1-methylpiperidin-4-yl)oxyimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OC6CCN(C)CC6)ccn45)cccc32)n1
InChIInChI=1S/C31H33N7O2/c1-20-5-3-6-22(33-20)19-38-26-8-4-7-25(29(26)30(35-38)21-9-10-21)34-31(39)27-18-32-28-17-24(13-16-37(27)28)40-23-11-14-36(2)15-12-23/h3-8,13,16-18,21,23H,9-12,14-15,19H2,1-2H3,(H,34,39)
InChIKeyRHDXUUDHWYWTHB-UHFFFAOYSA-N
MW535.65 g/mol
LogP5.04
Rot. Bonds7

About N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(1-methylpiperidin-4-yl)oxyimidazo[1,2-a]pyridine-3-carboxamide

N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(1-methylpiperidin-4-yl)oxyimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67259753) has the molecular formula C31H33N7O2 and a molecular weight of 535.65 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(1-methylpiperidin-4-yl)oxyimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(1-methylpiperidin-4-yl)oxyimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67259753
Molecular FormulaC31H33N7O2
Molecular Weight535.65 g/mol
Exact Mass535.27
IUPAC NameN-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(1-methylpiperidin-4-yl)oxyimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OC6CCN(C)CC6)ccn45)cccc32)n1
InChIInChI=1S/C31H33N7O2/c1-20-5-3-6-22(33-20)19-38-26-8-4-7-25(29(26)30(35-38)21-9-10-21)34-31(39)27-18-32-28-17-24(13-16-37(27)28)40-23-11-14-36(2)15-12-23/h3-8,13,16-18,21,23H,9-12,14-15,19H2,1-2H3,(H,34,39)
InChIKeyRHDXUUDHWYWTHB-UHFFFAOYSA-N
XLogP5.04
TPSA89.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.65
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(1-methylpiperidin-4-yl)oxyimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(1-methylpiperidin-4-yl)oxyimidazo[1,2-a]pyridine-3-carboxamide (CID 67259753) is N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(1-methylpiperidin-4-yl)oxyimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(1-methylpiperidin-4-yl)oxyimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(1-methylpiperidin-4-yl)oxyimidazo[1,2-a]pyridine-3-carboxamide is Cc1cccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OC6CCN(C)CC6)ccn45)cccc32)n1.
What is the InChIKey of N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(1-methylpiperidin-4-yl)oxyimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is RHDXUUDHWYWTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N7O2/c1-20-5-3-6-22(33-20)19-38-26-8-4-7-25(29(26)30(35-38)21-9-10-21)34-31(39)27-18-32-28-17-24(13-16-37(27)28)40-23-11-14-36(2)15-12-23/h3-8,13,16-18,21,23H,9-12,14-15,19H2,1-2H3,(H,34,39).
What are the key properties of N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(1-methylpiperidin-4-yl)oxyimidazo[1,2-a]pyridine-3-carboxamide?
N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(1-methylpiperidin-4-yl)oxyimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 535.65 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(1-methylpiperidin-4-yl)oxyimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67259753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).