3-[4-(benzylamino)-5-propan-2-yloxypyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide

C24H25N5O2 — CID 118141369

IUPAC3-[4-(benzylamino)-5-propan-2-yloxypyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide
SMILESCc1[nH]c2cccc(C(N)=O)c2c1-c1ncc(OC(C)C)c(NCc2ccccc2)n1
InChIInChI=1S/C24H25N5O2/c1-14(2)31-19-13-27-24(29-23(19)26-12-16-8-5-4-6-9-16)20-15(3)28-18-11-7-10-17(21(18)20)22(25)30/h4-11,13-14,28H,12H2,1-3H3,(H2,25,30)(H,26,27,29)
InChIKeyKVIQHMFVYUPYCM-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.43
Rot. Bonds7

About 3-[4-(benzylamino)-5-propan-2-yloxypyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide

3-[4-(benzylamino)-5-propan-2-yloxypyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide (PubChem CID 118141369) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 3-[4-(benzylamino)-5-propan-2-yloxypyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide.

Molecular Properties

Compound Name3-[4-(benzylamino)-5-propan-2-yloxypyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide
PubChem CID118141369
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name3-[4-(benzylamino)-5-propan-2-yloxypyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide
SMILESCc1[nH]c2cccc(C(N)=O)c2c1-c1ncc(OC(C)C)c(NCc2ccccc2)n1
InChIInChI=1S/C24H25N5O2/c1-14(2)31-19-13-27-24(29-23(19)26-12-16-8-5-4-6-9-16)20-15(3)28-18-11-7-10-17(21(18)20)22(25)30/h4-11,13-14,28H,12H2,1-3H3,(H2,25,30)(H,26,27,29)
InChIKeyKVIQHMFVYUPYCM-UHFFFAOYSA-N
XLogP4.43
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-amino-4-(benzylamino)pyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide
CID 118141405
3-[4-(benzylamino)-5-(methoxymethyl)pyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide
CID 118141353
3-[4-(benzylamino)-5-(trifluoromethyl)pyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide
CID 118141379
3-[5-(benzylamino)-6-methyl-1,2,4-triazin-3-yl]-2-methyl-1H-indole-4-carboxamide
CID 118141247
3-[5-amino-4-(benzylamino)pyrimidin-2-yl]-2-methylsulfonyl-1H-indole-4-carboxamide
CID 118141339
3-[4-(benzylamino)-6-methylpyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide
CID 118141412
3-[4-(benzylamino)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-2-yl]-2-methyl-1H-indole-7-carboxamide
CID 118239647
[3-[[[2-(7-carbamoyl-2-methyl-1-benzofuran-3-yl)-5-methoxypyrimidin-4-yl]amino]methyl]phenyl]boronic acid
CID 145205342
3-[4-(benzylamino)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]-2-methyl-1H-indole-7-carboxamide
CID 118239478
1-[4-(benzylamino)-5-(2-methoxyethoxy)pyrimidin-2-yl]-2-methylindole-4-carboxamide
CID 118141204
[6-(benzylamino)-2-(7-carbamoyl-2-methyl-1H-indol-3-yl)pyrimidin-4-yl]boronic acid
CID 145205492
[4-(benzylamino)-2-(8-carbamoyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrimidin-5-yl]boronic acid
CID 145205215

Frequently Asked Questions

What is the IUPAC name of 3-[4-(benzylamino)-5-propan-2-yloxypyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide?
The IUPAC name of 3-[4-(benzylamino)-5-propan-2-yloxypyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide (CID 118141369) is 3-[4-(benzylamino)-5-propan-2-yloxypyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide.
What is the SMILES notation for 3-[4-(benzylamino)-5-propan-2-yloxypyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide?
The canonical SMILES for 3-[4-(benzylamino)-5-propan-2-yloxypyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide is Cc1[nH]c2cccc(C(N)=O)c2c1-c1ncc(OC(C)C)c(NCc2ccccc2)n1.
What is the InChIKey of 3-[4-(benzylamino)-5-propan-2-yloxypyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide?
The InChIKey is KVIQHMFVYUPYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-14(2)31-19-13-27-24(29-23(19)26-12-16-8-5-4-6-9-16)20-15(3)28-18-11-7-10-17(21(18)20)22(25)30/h4-11,13-14,28H,12H2,1-3H3,(H2,25,30)(H,26,27,29).
What are the key properties of 3-[4-(benzylamino)-5-propan-2-yloxypyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide?
3-[4-(benzylamino)-5-propan-2-yloxypyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 4.43, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(benzylamino)-5-propan-2-yloxypyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide is sourced from PubChem (CID 118141369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).