N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-1-propan-2-ylindazole-4-carboxamide

C30H35N5O3 — CID 72668595

IUPACN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-1-propan-2-ylindazole-4-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(-c2ccc(CN3CCOCC3)cc2)cc2c1cnn2C(C)C
InChIInChI=1S/C30H35N5O3/c1-19(2)35-28-15-24(23-7-5-22(6-8-23)18-34-9-11-38-12-10-34)14-25(27(28)17-32-35)29(36)31-16-26-20(3)13-21(4)33-30(26)37/h5-8,13-15,17,19,26H,9-12,16,18H2,1-4H3,(H,31,36)
InChIKeyXZMVDQWXOSRGNR-UHFFFAOYSA-N
MW513.64 g/mol
LogP4.41
Rot. Bonds7

About N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-1-propan-2-ylindazole-4-carboxamide

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-1-propan-2-ylindazole-4-carboxamide (PubChem CID 72668595) has the molecular formula C30H35N5O3 and a molecular weight of 513.64 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-1-propan-2-ylindazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-1-propan-2-ylindazole-4-carboxamide
PubChem CID72668595
Molecular FormulaC30H35N5O3
Molecular Weight513.64 g/mol
Exact Mass513.27
IUPAC NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-1-propan-2-ylindazole-4-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(-c2ccc(CN3CCOCC3)cc2)cc2c1cnn2C(C)C
InChIInChI=1S/C30H35N5O3/c1-19(2)35-28-15-24(23-7-5-22(6-8-23)18-34-9-11-38-12-10-34)14-25(27(28)17-32-35)29(36)31-16-26-20(3)13-21(4)33-30(26)37/h5-8,13-15,17,19,26H,9-12,16,18H2,1-4H3,(H,31,36)
InChIKeyXZMVDQWXOSRGNR-UHFFFAOYSA-N
XLogP4.41
TPSA88.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.64
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-1-propan-2-ylindazole-4-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-1-propan-2-ylindazole-4-carboxamide (CID 72668595) is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-1-propan-2-ylindazole-4-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-1-propan-2-ylindazole-4-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-1-propan-2-ylindazole-4-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1cc(-c2ccc(CN3CCOCC3)cc2)cc2c1cnn2C(C)C.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-1-propan-2-ylindazole-4-carboxamide?
The InChIKey is XZMVDQWXOSRGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O3/c1-19(2)35-28-15-24(23-7-5-22(6-8-23)18-34-9-11-38-12-10-34)14-25(27(28)17-32-35)29(36)31-16-26-20(3)13-21(4)33-30(26)37/h5-8,13-15,17,19,26H,9-12,16,18H2,1-4H3,(H,31,36).
What are the key properties of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-1-propan-2-ylindazole-4-carboxamide?
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-1-propan-2-ylindazole-4-carboxamide has a molecular weight of 513.64 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-1-propan-2-ylindazole-4-carboxamide is sourced from PubChem (CID 72668595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).