1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide

C24H26N6O — CID 118659927

IUPAC1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
SMILESCN(C)C(=O)c1ccc2c(c1)N(c1ncc(-c3cc(N(C)C)ccn3)cn1)CC21CC1
InChIInChI=1S/C24H26N6O/c1-28(2)18-7-10-25-20(12-18)17-13-26-23(27-14-17)30-15-24(8-9-24)19-6-5-16(11-21(19)30)22(31)29(3)4/h5-7,10-14H,8-9,15H2,1-4H3
InChIKeyIGWOBXNRTORISX-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.49
Rot. Bonds4

About 1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide

1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide (PubChem CID 118659927) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide.

Molecular Properties

Compound Name1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
PubChem CID118659927
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
SMILESCN(C)C(=O)c1ccc2c(c1)N(c1ncc(-c3cc(N(C)C)ccn3)cn1)CC21CC1
InChIInChI=1S/C24H26N6O/c1-28(2)18-7-10-25-20(12-18)17-13-26-23(27-14-17)30-15-24(8-9-24)19-6-5-16(11-21(19)30)22(31)29(3)4/h5-7,10-14H,8-9,15H2,1-4H3
InChIKeyIGWOBXNRTORISX-UHFFFAOYSA-N
XLogP3.49
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-pyrrolidin-1-ylmethanone
CID 118659756
N-(2-hydroxyethyl)-N-methyl-1-[5-(4-methylsulfinyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
CID 118660073
N-(2-hydroxyethyl)-N-methyl-1-[5-(4-pyrrolidin-1-yl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
CID 118659985
N-(2-hydroxyethyl)-N-methyl-1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-carboxamide
CID 129282474
1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-carboxylic acid
CID 129282383
[1-[5-(4-amino-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
CID 118659803
N-[2-[2-[6-(morpholine-4-carbonyl)spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]-4-pyridinyl]acetamide
CID 118660029
N-(2-hydroxyethyl)-1-[5-(6-methoxy-2-pyridinyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
CID 118660060
[1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
CID 118660008
1-[5-(3-fluorophenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
CID 138403783
2-[2-[2-[6-(morpholine-4-carbonyl)spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]-4-pyridinyl]acetamide
CID 175044125
2-hydroxy-N-[[1-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]-N-methylacetamide
CID 129309244

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The IUPAC name of 1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide (CID 118659927) is 1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide.
What is the SMILES notation for 1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The canonical SMILES for 1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide is CN(C)C(=O)c1ccc2c(c1)N(c1ncc(-c3cc(N(C)C)ccn3)cn1)CC21CC1.
What is the InChIKey of 1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The InChIKey is IGWOBXNRTORISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-28(2)18-7-10-25-20(12-18)17-13-26-23(27-14-17)30-15-24(8-9-24)19-6-5-16(11-21(19)30)22(31)29(3)4/h5-7,10-14H,8-9,15H2,1-4H3.
What are the key properties of 1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide is sourced from PubChem (CID 118659927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).