N-[4-(morpholin-4-ylmethyl)phenyl]-5-(propanoylamino)-1H-indazole-3-carboxamide

C22H25N5O3 — CID 175258856

IUPACN-[4-(morpholin-4-ylmethyl)phenyl]-5-(propanoylamino)-1H-indazole-3-carboxamide
SMILESCCC(=O)Nc1ccc2[nH]nc(C(=O)Nc3ccc(CN4CCOCC4)cc3)c2c1
InChIInChI=1S/C22H25N5O3/c1-2-20(28)23-17-7-8-19-18(13-17)21(26-25-19)22(29)24-16-5-3-15(4-6-16)14-27-9-11-30-12-10-27/h3-8,13H,2,9-12,14H2,1H3,(H,23,28)(H,24,29)(H,25,26)
InChIKeyVTYIBMQOZGEETJ-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.00
Rot. Bonds6

About N-[4-(morpholin-4-ylmethyl)phenyl]-5-(propanoylamino)-1H-indazole-3-carboxamide

N-[4-(morpholin-4-ylmethyl)phenyl]-5-(propanoylamino)-1H-indazole-3-carboxamide (PubChem CID 175258856) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[4-(morpholin-4-ylmethyl)phenyl]-5-(propanoylamino)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(morpholin-4-ylmethyl)phenyl]-5-(propanoylamino)-1H-indazole-3-carboxamide
PubChem CID175258856
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC NameN-[4-(morpholin-4-ylmethyl)phenyl]-5-(propanoylamino)-1H-indazole-3-carboxamide
SMILESCCC(=O)Nc1ccc2[nH]nc(C(=O)Nc3ccc(CN4CCOCC4)cc3)c2c1
InChIInChI=1S/C22H25N5O3/c1-2-20(28)23-17-7-8-19-18(13-17)21(26-25-19)22(29)24-16-5-3-15(4-6-16)14-27-9-11-30-12-10-27/h3-8,13H,2,9-12,14H2,1H3,(H,23,28)(H,24,29)(H,25,26)
InChIKeyVTYIBMQOZGEETJ-UHFFFAOYSA-N
XLogP3.00
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(propanoylamino)-1H-indazole-3-carboxamide
CID 175258863
N-[4-[(dimethylamino)methyl]phenyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[4-(morpholin-4-ylmethyl)phenyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[4-(piperidin-1-ylmethyl)phenyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide
CID 160681603
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89451050
5-iodo-N-(4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide
CID 11744370
N-(3-fluorophenyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89459049
5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[3-(piperidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide
CID 89458744
N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381872
N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450813
N-(6-amino-5-methyl-3-pyridinyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 123275333
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-piperidin-1-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[4-(pyrrolidin-1-ylmethyl)phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 160538281
2-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60656764
N-[4-(morpholin-4-ylmethyl)phenyl]octadecanamide
CID 108730937

Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]-5-(propanoylamino)-1H-indazole-3-carboxamide?
The IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]-5-(propanoylamino)-1H-indazole-3-carboxamide (CID 175258856) is N-[4-(morpholin-4-ylmethyl)phenyl]-5-(propanoylamino)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[4-(morpholin-4-ylmethyl)phenyl]-5-(propanoylamino)-1H-indazole-3-carboxamide?
The canonical SMILES for N-[4-(morpholin-4-ylmethyl)phenyl]-5-(propanoylamino)-1H-indazole-3-carboxamide is CCC(=O)Nc1ccc2[nH]nc(C(=O)Nc3ccc(CN4CCOCC4)cc3)c2c1.
What is the InChIKey of N-[4-(morpholin-4-ylmethyl)phenyl]-5-(propanoylamino)-1H-indazole-3-carboxamide?
The InChIKey is VTYIBMQOZGEETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-2-20(28)23-17-7-8-19-18(13-17)21(26-25-19)22(29)24-16-5-3-15(4-6-16)14-27-9-11-30-12-10-27/h3-8,13H,2,9-12,14H2,1H3,(H,23,28)(H,24,29)(H,25,26).
What are the key properties of N-[4-(morpholin-4-ylmethyl)phenyl]-5-(propanoylamino)-1H-indazole-3-carboxamide?
N-[4-(morpholin-4-ylmethyl)phenyl]-5-(propanoylamino)-1H-indazole-3-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 3.00, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholin-4-ylmethyl)phenyl]-5-(propanoylamino)-1H-indazole-3-carboxamide is sourced from PubChem (CID 175258856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).