2,5,7-trimethyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H29N5O2 — CID 112841011

IUPAC2,5,7-trimethyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2nc(C)c(C(=O)NC3CC4(CCN(C)CC4)Oc4ccccc43)c2n1
InChIInChI=1S/C24H29N5O2/c1-15-13-16(2)29-22(25-15)21(17(3)27-29)23(30)26-19-14-24(9-11-28(4)12-10-24)31-20-8-6-5-7-18(19)20/h5-8,13,19H,9-12,14H2,1-4H3,(H,26,30)
InChIKeySDOXDSBQVOASDH-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.37
Rot. Bonds2

About 2,5,7-trimethyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

2,5,7-trimethyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 112841011) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2,5,7-trimethyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2,5,7-trimethyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID112841011
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name2,5,7-trimethyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2nc(C)c(C(=O)NC3CC4(CCN(C)CC4)Oc4ccccc43)c2n1
InChIInChI=1S/C24H29N5O2/c1-15-13-16(2)29-22(25-15)21(17(3)27-29)23(30)26-19-14-24(9-11-28(4)12-10-24)31-20-8-6-5-7-18(19)20/h5-8,13,19H,9-12,14H2,1-4H3,(H,26,30)
InChIKeySDOXDSBQVOASDH-UHFFFAOYSA-N
XLogP3.37
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-3-carboxamide
CID 155945168
5-methyl-N-[(4S)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]furan-2-carboxamide
CID 51546641
6-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinazoline-4-carboxamide
CID 166381221
3-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 42916523
3,5-dimethyl-N-(1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)-1,2-oxazole-4-carboxamide
CID 110212861
2-(dimethylamino)-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-4-carboxamide
CID 155948335
N-(azetidin-3-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122147962
1-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-5-phenylpyrazole-4-carboxamide
CID 155946672
3-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 155945166
3,3,3-trifluoro-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)propanamide
CID 131643090
1-(2-methoxyphenyl)-3-[(4S)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]urea
CID 40743676
(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(2S,4S)-1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl]propanamide
CID 95794687

Frequently Asked Questions

What is the IUPAC name of 2,5,7-trimethyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2,5,7-trimethyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 112841011) is 2,5,7-trimethyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2,5,7-trimethyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2,5,7-trimethyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)n2nc(C)c(C(=O)NC3CC4(CCN(C)CC4)Oc4ccccc43)c2n1.
What is the InChIKey of 2,5,7-trimethyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SDOXDSBQVOASDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-15-13-16(2)29-22(25-15)21(17(3)27-29)23(30)26-19-14-24(9-11-28(4)12-10-24)31-20-8-6-5-7-18(19)20/h5-8,13,19H,9-12,14H2,1-4H3,(H,26,30).
What are the key properties of 2,5,7-trimethyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2,5,7-trimethyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7-trimethyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 112841011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).