5-[(3,3-difluorocycloheptyl)amino]imidazo[1,2-c]pyrimidine-7-carboxylic acid

C14H16F2N4O2 — CID 167901004

IUPAC5-[(3,3-difluorocycloheptyl)amino]imidazo[1,2-c]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1cc2nccn2c(NC2CCCCC(F)(F)C2)n1
InChIInChI=1S/C14H16F2N4O2/c15-14(16)4-2-1-3-9(8-14)18-13-19-10(12(21)22)7-11-17-5-6-20(11)13/h5-7,9H,1-4,8H2,(H,18,19)(H,21,22)
InChIKeyNLGFHUZGHPNFRB-UHFFFAOYSA-N
MW310.30 g/mol
LogP2.81
Rot. Bonds3

About 5-[(3,3-difluorocycloheptyl)amino]imidazo[1,2-c]pyrimidine-7-carboxylic acid

5-[(3,3-difluorocycloheptyl)amino]imidazo[1,2-c]pyrimidine-7-carboxylic acid (PubChem CID 167901004) has the molecular formula C14H16F2N4O2 and a molecular weight of 310.30 g/mol. Its IUPAC name is 5-[(3,3-difluorocycloheptyl)amino]imidazo[1,2-c]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name5-[(3,3-difluorocycloheptyl)amino]imidazo[1,2-c]pyrimidine-7-carboxylic acid
PubChem CID167901004
Molecular FormulaC14H16F2N4O2
Molecular Weight310.30 g/mol
Exact Mass310.12
IUPAC Name5-[(3,3-difluorocycloheptyl)amino]imidazo[1,2-c]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1cc2nccn2c(NC2CCCCC(F)(F)C2)n1
InChIInChI=1S/C14H16F2N4O2/c15-14(16)4-2-1-3-9(8-14)18-13-19-10(12(21)22)7-11-17-5-6-20(11)13/h5-7,9H,1-4,8H2,(H,18,19)(H,21,22)
InChIKeyNLGFHUZGHPNFRB-UHFFFAOYSA-N
XLogP2.81
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-(trifluoromethyl)cyclohexyl]amino]imidazo[1,2-c]pyrimidine-7-carboxylic acid
CID 167952304
methyl 5-[(4-methoxycarbonylcyclohexyl)amino]imidazo[1,2-c]pyrimidine-7-carboxylate
CID 166368545
5-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]imidazo[1,2-c]pyrimidine-7-carboxylic acid
CID 167885370
5-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]imidazo[1,2-c]pyrimidine-7-carboxylic acid
CID 167929901
5-(3-imidazol-1-ylpyrrolidin-1-yl)imidazo[1,2-c]pyrimidine-7-carboxylic acid
CID 167773876
5-(1-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)imidazo[1,2-c]pyrimidine-7-carboxylic acid
CID 167972639
5-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]imidazo[1,2-c]pyrimidine-7-carboxylic acid
CID 167942127
fluorocyclopentane;propan-2-ylcarbamic acid;N-(1H-pyrazol-5-yl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine
CID 169143581
5-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)imidazo[1,2-c]pyrimidine-7-carboxylic acid
CID 167780587
5-(cyclopentylcarbamoyl)-1-propan-2-ylpyrazole-3-carboxylic acid
CID 117218445
2-(3,3-difluorocyclohexyl)pyrazole-3-carboxylic acid
CID 84736128
4-(3-cyano-2-pyridinyl)-N-(3,3-difluorocyclohexyl)piperazine-1-carboxamide
CID 136516128

Frequently Asked Questions

What is the IUPAC name of 5-[(3,3-difluorocycloheptyl)amino]imidazo[1,2-c]pyrimidine-7-carboxylic acid?
The IUPAC name of 5-[(3,3-difluorocycloheptyl)amino]imidazo[1,2-c]pyrimidine-7-carboxylic acid (CID 167901004) is 5-[(3,3-difluorocycloheptyl)amino]imidazo[1,2-c]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 5-[(3,3-difluorocycloheptyl)amino]imidazo[1,2-c]pyrimidine-7-carboxylic acid?
The canonical SMILES for 5-[(3,3-difluorocycloheptyl)amino]imidazo[1,2-c]pyrimidine-7-carboxylic acid is O=C(O)c1cc2nccn2c(NC2CCCCC(F)(F)C2)n1.
What is the InChIKey of 5-[(3,3-difluorocycloheptyl)amino]imidazo[1,2-c]pyrimidine-7-carboxylic acid?
The InChIKey is NLGFHUZGHPNFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O2/c15-14(16)4-2-1-3-9(8-14)18-13-19-10(12(21)22)7-11-17-5-6-20(11)13/h5-7,9H,1-4,8H2,(H,18,19)(H,21,22).
What are the key properties of 5-[(3,3-difluorocycloheptyl)amino]imidazo[1,2-c]pyrimidine-7-carboxylic acid?
5-[(3,3-difluorocycloheptyl)amino]imidazo[1,2-c]pyrimidine-7-carboxylic acid has a molecular weight of 310.30 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,3-difluorocycloheptyl)amino]imidazo[1,2-c]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 167901004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).