5-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]imidazo[1,2-c]pyrimidine-7-carboxylic acid

C17H18N6O2 — CID 167929901

IUPAC5-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]imidazo[1,2-c]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1cc2nccn2c(N2CCC(CNc3ccccn3)C2)n1
InChIInChI=1S/C17H18N6O2/c24-16(25)13-9-15-19-6-8-23(15)17(21-13)22-7-4-12(11-22)10-20-14-3-1-2-5-18-14/h1-3,5-6,8-9,12H,4,7,10-11H2,(H,18,20)(H,24,25)
InChIKeyOMZBDNSPBWKJQJ-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.76
Rot. Bonds5

About 5-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]imidazo[1,2-c]pyrimidine-7-carboxylic acid

5-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]imidazo[1,2-c]pyrimidine-7-carboxylic acid (PubChem CID 167929901) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 5-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]imidazo[1,2-c]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name5-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]imidazo[1,2-c]pyrimidine-7-carboxylic acid
PubChem CID167929901
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name5-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]imidazo[1,2-c]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1cc2nccn2c(N2CCC(CNc3ccccn3)C2)n1
InChIInChI=1S/C17H18N6O2/c24-16(25)13-9-15-19-6-8-23(15)17(21-13)22-7-4-12(11-22)10-20-14-3-1-2-5-18-14/h1-3,5-6,8-9,12H,4,7,10-11H2,(H,18,20)(H,24,25)
InChIKeyOMZBDNSPBWKJQJ-UHFFFAOYSA-N
XLogP1.76
TPSA95.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]imidazo[1,2-c]pyrimidine-7-carboxylic acid with MolForge

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Related Compounds

N-[[1-(3-chloro-4-pyridinyl)pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 122147269
N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 86798079
4-bromo-2-fluoro-6-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]benzamide
CID 133441347
2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133280258
5-chloro-2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]benzonitrile
CID 133286080
N-[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 86773701
N-[[(3S)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 99638683
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 61209300
5-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]imidazo[1,2-c]pyrimidine-7-carboxylic acid
CID 167942127
5-(1-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)imidazo[1,2-c]pyrimidine-7-carboxylic acid
CID 167972639
N-(2-acetamidoethyl)-2-[(3S)-3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]acetamide
CID 95156695
5-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methylamino]pyrazine-2-carboxylic acid
CID 122054293

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]imidazo[1,2-c]pyrimidine-7-carboxylic acid?
The IUPAC name of 5-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]imidazo[1,2-c]pyrimidine-7-carboxylic acid (CID 167929901) is 5-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]imidazo[1,2-c]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 5-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]imidazo[1,2-c]pyrimidine-7-carboxylic acid?
The canonical SMILES for 5-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]imidazo[1,2-c]pyrimidine-7-carboxylic acid is O=C(O)c1cc2nccn2c(N2CCC(CNc3ccccn3)C2)n1.
What is the InChIKey of 5-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]imidazo[1,2-c]pyrimidine-7-carboxylic acid?
The InChIKey is OMZBDNSPBWKJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c24-16(25)13-9-15-19-6-8-23(15)17(21-13)22-7-4-12(11-22)10-20-14-3-1-2-5-18-14/h1-3,5-6,8-9,12H,4,7,10-11H2,(H,18,20)(H,24,25).
What are the key properties of 5-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]imidazo[1,2-c]pyrimidine-7-carboxylic acid?
5-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]imidazo[1,2-c]pyrimidine-7-carboxylic acid has a molecular weight of 338.37 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]imidazo[1,2-c]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 167929901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).