[5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(1-methyl-5-propan-2-ylpyrazol-3-yl)carbamate

C22H25N7O3 — CID 129018180

IUPAC[5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(1-methyl-5-propan-2-ylpyrazol-3-yl)carbamate
SMILESCNCc1cc(Oc2ccc3c(ccn3OC(=O)Nc3cc(C(C)C)n(C)n3)c2)ncn1
InChIInChI=1S/C22H25N7O3/c1-14(2)19-11-20(27-28(19)4)26-22(30)32-29-8-7-15-9-17(5-6-18(15)29)31-21-10-16(12-23-3)24-13-25-21/h5-11,13-14,23H,12H2,1-4H3,(H,26,27,30)
InChIKeyQLKXKDWHUHWWLQ-UHFFFAOYSA-N
MW435.49 g/mol
LogP3.46
Rot. Bonds7

About [5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(1-methyl-5-propan-2-ylpyrazol-3-yl)carbamate

[5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(1-methyl-5-propan-2-ylpyrazol-3-yl)carbamate (PubChem CID 129018180) has the molecular formula C22H25N7O3 and a molecular weight of 435.49 g/mol. Its IUPAC name is [5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(1-methyl-5-propan-2-ylpyrazol-3-yl)carbamate.

Molecular Properties

Compound Name[5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(1-methyl-5-propan-2-ylpyrazol-3-yl)carbamate
PubChem CID129018180
Molecular FormulaC22H25N7O3
Molecular Weight435.49 g/mol
Exact Mass435.20
IUPAC Name[5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(1-methyl-5-propan-2-ylpyrazol-3-yl)carbamate
SMILESCNCc1cc(Oc2ccc3c(ccn3OC(=O)Nc3cc(C(C)C)n(C)n3)c2)ncn1
InChIInChI=1S/C22H25N7O3/c1-14(2)19-11-20(27-28(19)4)26-22(30)32-29-8-7-15-9-17(5-6-18(15)29)31-21-10-16(12-23-3)24-13-25-21/h5-11,13-14,23H,12H2,1-4H3,(H,26,27,30)
InChIKeyQLKXKDWHUHWWLQ-UHFFFAOYSA-N
XLogP3.46
TPSA108.12 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

[5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(1,5-dicyclopropylpyrazol-3-yl)carbamate
CID 129018205
[5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]carbamate
CID 129018224
[5-[6-[(dimethylamino)methyl]pyrimidin-4-yl]oxyindol-1-yl] N-(5-propan-2-yl-1H-pyrazol-3-yl)carbamate
CID 129018219
5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)indole-1-carboxamide
CID 59394126
5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-[1-(trifluoromethyl)cyclopropyl]pyrazol-3-yl]indole-1-carboxamide
CID 59394079
N-(1-tert-butylpyrazol-3-yl)-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
CID 59394167
[5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(5-cyclopropyl-1,2-oxazol-3-yl)carbamate
CID 129018251
[5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxyindol-1-yl] N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamate
CID 129018228
N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
CID 46224242
N-[[6-(1-methylindol-5-yl)oxypyrimidin-4-yl]methyl]cyclopropanamine
CID 129045019
N-[2-fluoro-3-(trifluoromethyl)phenyl]-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
CID 59394627
[6-(1-acetylindol-5-yl)oxypyrimidin-4-yl]methyl methanesulfonate;1-[6-(1H-indol-5-yloxy)pyrimidin-4-yl]-N-methylmethanamine;methanamine
CID 158045516

Frequently Asked Questions

What is the IUPAC name of [5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(1-methyl-5-propan-2-ylpyrazol-3-yl)carbamate?
The IUPAC name of [5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(1-methyl-5-propan-2-ylpyrazol-3-yl)carbamate (CID 129018180) is [5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(1-methyl-5-propan-2-ylpyrazol-3-yl)carbamate.
What is the SMILES notation for [5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(1-methyl-5-propan-2-ylpyrazol-3-yl)carbamate?
The canonical SMILES for [5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(1-methyl-5-propan-2-ylpyrazol-3-yl)carbamate is CNCc1cc(Oc2ccc3c(ccn3OC(=O)Nc3cc(C(C)C)n(C)n3)c2)ncn1.
What is the InChIKey of [5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(1-methyl-5-propan-2-ylpyrazol-3-yl)carbamate?
The InChIKey is QLKXKDWHUHWWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O3/c1-14(2)19-11-20(27-28(19)4)26-22(30)32-29-8-7-15-9-17(5-6-18(15)29)31-21-10-16(12-23-3)24-13-25-21/h5-11,13-14,23H,12H2,1-4H3,(H,26,27,30).
What are the key properties of [5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(1-methyl-5-propan-2-ylpyrazol-3-yl)carbamate?
[5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(1-methyl-5-propan-2-ylpyrazol-3-yl)carbamate has a molecular weight of 435.49 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindol-1-yl] N-(1-methyl-5-propan-2-ylpyrazol-3-yl)carbamate is sourced from PubChem (CID 129018180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).