2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-pyridin-2-ylpropanamide

C24H31N5O3 — CID 134805800

IUPAC2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-pyridin-2-ylpropanamide
SMILESCC(C)n1nc(OC(C)(C)C(=O)Nc2ccccn2)c2cc(CN3CCOCC3)ccc21
InChIInChI=1S/C24H31N5O3/c1-17(2)29-20-9-8-18(16-28-11-13-31-14-12-28)15-19(20)22(27-29)32-24(3,4)23(30)26-21-7-5-6-10-25-21/h5-10,15,17H,11-14,16H2,1-4H3,(H,25,26,30)
InChIKeyKVOJQMJWEJRRMH-UHFFFAOYSA-N
MW437.54 g/mol
LogP3.64
Rot. Bonds7

About 2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-pyridin-2-ylpropanamide

2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-pyridin-2-ylpropanamide (PubChem CID 134805800) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is 2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-pyridin-2-ylpropanamide
PubChem CID134805800
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Name2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-pyridin-2-ylpropanamide
SMILESCC(C)n1nc(OC(C)(C)C(=O)Nc2ccccn2)c2cc(CN3CCOCC3)ccc21
InChIInChI=1S/C24H31N5O3/c1-17(2)29-20-9-8-18(16-28-11-13-31-14-12-28)15-19(20)22(27-29)32-24(3,4)23(30)26-21-7-5-6-10-25-21/h5-10,15,17H,11-14,16H2,1-4H3,(H,25,26,30)
InChIKeyKVOJQMJWEJRRMH-UHFFFAOYSA-N
XLogP3.64
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-pyridin-2-ylpropanamide?
The IUPAC name of 2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-pyridin-2-ylpropanamide (CID 134805800) is 2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-pyridin-2-ylpropanamide.
What is the SMILES notation for 2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-pyridin-2-ylpropanamide?
The canonical SMILES for 2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-pyridin-2-ylpropanamide is CC(C)n1nc(OC(C)(C)C(=O)Nc2ccccn2)c2cc(CN3CCOCC3)ccc21.
What is the InChIKey of 2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-pyridin-2-ylpropanamide?
The InChIKey is KVOJQMJWEJRRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-17(2)29-20-9-8-18(16-28-11-13-31-14-12-28)15-19(20)22(27-29)32-24(3,4)23(30)26-21-7-5-6-10-25-21/h5-10,15,17H,11-14,16H2,1-4H3,(H,25,26,30).
What are the key properties of 2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-pyridin-2-ylpropanamide?
2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-pyridin-2-ylpropanamide has a molecular weight of 437.54 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 134805800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).