N-cyclohexyl-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C24H29N5O2 — CID 118382016

IUPACN-cyclohexyl-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(NC1CCCCC1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12
InChIInChI=1S/C24H29N5O2/c30-24(26-20-4-2-1-3-5-20)23-21-13-18(6-7-22(21)27-28-23)19-12-17(14-25-15-19)16-29-8-10-31-11-9-29/h6-7,12-15,20H,1-5,8-11,16H2,(H,26,30)(H,27,28)
InChIKeyXXDKTQRJVJVNSB-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.52
Rot. Bonds5

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

N-cyclohexyl-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 118382016) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-cyclohexyl-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID118382016
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-cyclohexyl-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(NC1CCCCC1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12
InChIInChI=1S/C24H29N5O2/c30-24(26-20-4-2-1-3-5-20)23-21-13-18(6-7-22(21)27-28-23)19-12-17(14-25-15-19)16-29-8-10-31-11-9-29/h6-7,12-15,20H,1-5,8-11,16H2,(H,26,30)(H,27,28)
InChIKeyXXDKTQRJVJVNSB-UHFFFAOYSA-N
XLogP3.52
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 118382016) is N-cyclohexyl-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(NC1CCCCC1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12.
What is the InChIKey of N-cyclohexyl-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is XXDKTQRJVJVNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c30-24(26-20-4-2-1-3-5-20)23-21-13-18(6-7-22(21)27-28-23)19-12-17(14-25-15-19)16-29-8-10-31-11-9-29/h6-7,12-15,20H,1-5,8-11,16H2,(H,26,30)(H,27,28).
What are the key properties of N-cyclohexyl-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
N-cyclohexyl-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118382016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).