3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide

C21H21N5O2 — CID 135559056

IUPAC3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide
SMILESNC(=O)c1ccc2c(-c3cc4cc(CN5CCOCC5)ccc4[nH]3)n[nH]c2c1
InChIInChI=1S/C21H21N5O2/c22-21(27)14-2-3-16-18(10-14)24-25-20(16)19-11-15-9-13(1-4-17(15)23-19)12-26-5-7-28-8-6-26/h1-4,9-11,23H,5-8,12H2,(H2,22,27)(H,24,25)
InChIKeySVPVCRMOALGQKQ-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.64
Rot. Bonds4

About 3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide

3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide (PubChem CID 135559056) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide.

Molecular Properties

Compound Name3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide
PubChem CID135559056
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide
SMILESNC(=O)c1ccc2c(-c3cc4cc(CN5CCOCC5)ccc4[nH]3)n[nH]c2c1
InChIInChI=1S/C21H21N5O2/c22-21(27)14-2-3-16-18(10-14)24-25-20(16)19-11-15-9-13(1-4-17(15)23-19)12-26-5-7-28-8-6-26/h1-4,9-11,23H,5-8,12H2,(H2,22,27)(H,24,25)
InChIKeySVPVCRMOALGQKQ-UHFFFAOYSA-N
XLogP2.64
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(Piperidin-1-Ylmethyl)-1h-Indol-2-Yl]-6-(1h-Pyrazol-4-Yl)quinolin-2(1h)-One
CID 11690363
Methyl 3-[5-(morpholin-4-ylmethyl)-1h-indol-2-yl]-1h-indazole-6-carboxylate
CID 135414445
3-{5-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-2-yl}-1H-indazole-6-carbonitrile
CID 135468068
3-[5-(Morpholin-4-ylmethyl)-1h-indol-2-yl]-1h-indazole-6-carbonitrile
CID 135487516
1-(4-{[2-(1H-indazol-3-yl)-1H-indol-5-yl]methyl}piperazin-1-yl)ethan-1-one
CID 135559055
N-methyl-3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide
CID 135559057
3-(Indol-2-yl)indazole 10
CID 135559058
4-({2-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl}methyl)morpholine
CID 135559059
4-({2-[6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl}methyl)morpholine
CID 135559060
4-({2-[6-(1H-pyrazol-5-yl)-1H-indazol-3-yl]-1H-indol-5-yl}methyl)morpholine
CID 135559061
2-(2-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-indol-6-yl)-1-phenylethanone
CID 136188827
3-(5-(morpholinomethyl)-1H-indol-2-yl)-6-(1H-pyrazol-4-yl)quinolin-2(1H)-one
CID 44419980

Frequently Asked Questions

What is the IUPAC name of 3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide?
The IUPAC name of 3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide (CID 135559056) is 3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide.
What is the SMILES notation for 3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide?
The canonical SMILES for 3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide is NC(=O)c1ccc2c(-c3cc4cc(CN5CCOCC5)ccc4[nH]3)n[nH]c2c1.
What is the InChIKey of 3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide?
The InChIKey is SVPVCRMOALGQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c22-21(27)14-2-3-16-18(10-14)24-25-20(16)19-11-15-9-13(1-4-17(15)23-19)12-26-5-7-28-8-6-26/h1-4,9-11,23H,5-8,12H2,(H2,22,27)(H,24,25).
What are the key properties of 3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide?
3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide is sourced from PubChem (CID 135559056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).