N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-1-carboxamide

C22H22N6O2 — CID 59394638

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-1-carboxamide
SMILESCNCc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C4CC4)[nH]n3)c2)ccn1
InChIInChI=1S/C22H22N6O2/c1-23-13-16-11-18(6-8-24-16)30-17-4-5-20-15(10-17)7-9-28(20)22(29)25-21-12-19(26-27-21)14-2-3-14/h4-12,14,23H,2-3,13H2,1H3,(H2,25,26,27,29)
InChIKeyDBHZJBSPLUGRIQ-UHFFFAOYSA-N
MW402.46 g/mol
LogP4.23
Rot. Bonds6

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-1-carboxamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-1-carboxamide (PubChem CID 59394638) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-1-carboxamide
PubChem CID59394638
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-1-carboxamide
SMILESCNCc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C4CC4)[nH]n3)c2)ccn1
InChIInChI=1S/C22H22N6O2/c1-23-13-16-11-18(6-8-24-16)30-17-4-5-20-15(10-17)7-9-28(20)22(29)25-21-12-19(26-27-21)14-2-3-14/h4-12,14,23H,2-3,13H2,1H3,(H2,25,26,27,29)
InChIKeyDBHZJBSPLUGRIQ-UHFFFAOYSA-N
XLogP4.23
TPSA96.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-1-carboxamide
CID 59394382
N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
CID 59394589
tert-butyl N-[[4-[1-[(5-cyclopropyl-1-methylpyrazol-3-yl)carbamoyl]indol-5-yl]oxy-2-pyridinyl]methyl]-N-methylcarbamate
CID 59394157
N-(1-tert-butylpyrazol-3-yl)-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
CID 59394167
5-[[2-[(4-hydroxypiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]-N-(3-methylbutyl)indole-1-carboxamide
CID 10073189
N-methyl-5-[[2-[(4-pyrrolidin-1-ylpiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide
CID 10434497
5-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-cyclopropylindole-1-carboxamide
CID 58930818
5-[[2-[3-(4-hydroxypiperidin-1-yl)propylcarbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
CID 10344471
5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-[1-(trifluoromethyl)cyclopropyl]pyrazol-3-yl]indole-1-carboxamide
CID 59394079
N-methyl-5-[[2-(prop-2-enylcarbamoylamino)-4-pyridinyl]oxy]indole-1-carboxamide
CID 23072181
N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
CID 46224242
5-[[2-[(2-hydroxyethylamino)methyl]-4-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59394192

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-1-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-1-carboxamide (CID 59394638) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-1-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-1-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-1-carboxamide is CNCc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C4CC4)[nH]n3)c2)ccn1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-1-carboxamide?
The InChIKey is DBHZJBSPLUGRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-23-13-16-11-18(6-8-24-16)30-17-4-5-20-15(10-17)7-9-28(20)22(29)25-21-12-19(26-27-21)14-2-3-14/h4-12,14,23H,2-3,13H2,1H3,(H2,25,26,27,29).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-1-carboxamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-1-carboxamide has a molecular weight of 402.46 g/mol, XLogP of 4.23, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-1-carboxamide is sourced from PubChem (CID 59394638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).