[5-[6-(cyclopropylmethyl)pyrimidin-4-yl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(2-methylpyrazol-3-yl)methanone

C19H24N6O — CID 167971764

IUPAC[5-[6-(cyclopropylmethyl)pyrimidin-4-yl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CC2CCC1CN2c1cc(CC2CC2)ncn1
InChIInChI=1S/C19H24N6O/c1-23-17(6-7-22-23)19(26)25-11-15-4-5-16(25)10-24(15)18-9-14(20-12-21-18)8-13-2-3-13/h6-7,9,12-13,15-16H,2-5,8,10-11H2,1H3
InChIKeyMVCLVOQSWLBPJI-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.66
Rot. Bonds4

About [5-[6-(cyclopropylmethyl)pyrimidin-4-yl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(2-methylpyrazol-3-yl)methanone

[5-[6-(cyclopropylmethyl)pyrimidin-4-yl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 167971764) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is [5-[6-(cyclopropylmethyl)pyrimidin-4-yl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[5-[6-(cyclopropylmethyl)pyrimidin-4-yl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID167971764
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name[5-[6-(cyclopropylmethyl)pyrimidin-4-yl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CC2CCC1CN2c1cc(CC2CC2)ncn1
InChIInChI=1S/C19H24N6O/c1-23-17(6-7-22-23)19(26)25-11-15-4-5-16(25)10-24(15)18-9-14(20-12-21-18)8-13-2-3-13/h6-7,9,12-13,15-16H,2-5,8,10-11H2,1H3
InChIKeyMVCLVOQSWLBPJI-UHFFFAOYSA-N
XLogP1.66
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-(cyclopropylmethyl)pyrimidin-4-yl]azetidine-3-carboxylic acid
CID 126848203
1-(2-methylpyrazole-3-carbonyl)azetidine-2-carboxylic acid
CID 131052375
1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 126848226
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 95750139
1-(2,2-dimethylpropyl)-3-methyl-5-[5-(1H-1,2,4-triazole-5-carbonyl)-2,5-diazabicyclo[2.2.2]octan-2-yl]imidazo[4,5-b]pyridin-2-one
CID 51036310
[2-(aminomethyl)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone;hydrochloride
CID 119632620
[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 102786708
(2-methylpyrazol-3-yl)-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone
CID 124987374
(3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone
CID 61297196
3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43664825
[4-(1-bromoethyl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 106839312
1-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 110467110

Frequently Asked Questions

What is the IUPAC name of [5-[6-(cyclopropylmethyl)pyrimidin-4-yl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [5-[6-(cyclopropylmethyl)pyrimidin-4-yl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(2-methylpyrazol-3-yl)methanone (CID 167971764) is [5-[6-(cyclopropylmethyl)pyrimidin-4-yl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [5-[6-(cyclopropylmethyl)pyrimidin-4-yl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [5-[6-(cyclopropylmethyl)pyrimidin-4-yl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(2-methylpyrazol-3-yl)methanone is Cn1nccc1C(=O)N1CC2CCC1CN2c1cc(CC2CC2)ncn1.
What is the InChIKey of [5-[6-(cyclopropylmethyl)pyrimidin-4-yl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is MVCLVOQSWLBPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-23-17(6-7-22-23)19(26)25-11-15-4-5-16(25)10-24(15)18-9-14(20-12-21-18)8-13-2-3-13/h6-7,9,12-13,15-16H,2-5,8,10-11H2,1H3.
What are the key properties of [5-[6-(cyclopropylmethyl)pyrimidin-4-yl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(2-methylpyrazol-3-yl)methanone?
[5-[6-(cyclopropylmethyl)pyrimidin-4-yl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 352.44 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[6-(cyclopropylmethyl)pyrimidin-4-yl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 167971764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).