methylcyclopropane;5-piperazin-1-yl-3-(2-propyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine

C22H30N6 — CID 176941825

IUPACmethylcyclopropane;5-piperazin-1-yl-3-(2-propyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine
SMILESCC1CC1.CCCc1ncccc1-c1cnn2ccc(N3CCNCC3)nc12
InChIInChI=1S/C18H22N6.C4H8/c1-2-4-16-14(5-3-7-20-16)15-13-21-24-10-6-17(22-18(15)24)23-11-8-19-9-12-23;1-4-2-3-4/h3,5-7,10,13,19H,2,4,8-9,11-12H2,1H3;4H,2-3H2,1H3
InChIKeyKNWJUJBRKZWPOD-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.57
Rot. Bonds4

About methylcyclopropane;5-piperazin-1-yl-3-(2-propyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine

methylcyclopropane;5-piperazin-1-yl-3-(2-propyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 176941825) has the molecular formula C22H30N6 and a molecular weight of 378.52 g/mol. Its IUPAC name is methylcyclopropane;5-piperazin-1-yl-3-(2-propyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Namemethylcyclopropane;5-piperazin-1-yl-3-(2-propyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine
PubChem CID176941825
Molecular FormulaC22H30N6
Molecular Weight378.52 g/mol
Exact Mass378.25
IUPAC Namemethylcyclopropane;5-piperazin-1-yl-3-(2-propyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine
SMILESCC1CC1.CCCc1ncccc1-c1cnn2ccc(N3CCNCC3)nc12
InChIInChI=1S/C18H22N6.C4H8/c1-2-4-16-14(5-3-7-20-16)15-13-21-24-10-6-17(22-18(15)24)23-11-8-19-9-12-23;1-4-2-3-4/h3,5-7,10,13,19H,2,4,8-9,11-12H2,1H3;4H,2-3H2,1H3
InChIKeyKNWJUJBRKZWPOD-UHFFFAOYSA-N
XLogP3.57
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

3-(5-methoxy-2-propyl-3-pyridinyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine;methylcyclopropane
CID 176941983
2-methyl-5-piperazin-1-yl-3-(2-propyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 176942032
6-methoxy-5-piperazin-1-yl-3-(2-propyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 176942090
4-[3-[2-(cyclopropylmethyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylic acid;hexan-2-one;2-methylpentane
CID 176941980
3-(2-methoxy-3-pyridinyl)-5-[4-(5-propan-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 166518423
3-propyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 134386294
propan-2-yl 4-[3-(2-propan-2-yloxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate
CID 71744766
N-ethyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methylpropanoic acid
CID 159646006
3-methyl-5-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 123303911
1-(5-propyl-2-pyridinyl)piperazine
CID 152988088
N-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methylpropanoic acid
CID 162266155
5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine
CID 115371975

Frequently Asked Questions

What is the IUPAC name of methylcyclopropane;5-piperazin-1-yl-3-(2-propyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of methylcyclopropane;5-piperazin-1-yl-3-(2-propyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine (CID 176941825) is methylcyclopropane;5-piperazin-1-yl-3-(2-propyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for methylcyclopropane;5-piperazin-1-yl-3-(2-propyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for methylcyclopropane;5-piperazin-1-yl-3-(2-propyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine is CC1CC1.CCCc1ncccc1-c1cnn2ccc(N3CCNCC3)nc12.
What is the InChIKey of methylcyclopropane;5-piperazin-1-yl-3-(2-propyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is KNWJUJBRKZWPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6.C4H8/c1-2-4-16-14(5-3-7-20-16)15-13-21-24-10-6-17(22-18(15)24)23-11-8-19-9-12-23;1-4-2-3-4/h3,5-7,10,13,19H,2,4,8-9,11-12H2,1H3;4H,2-3H2,1H3.
What are the key properties of methylcyclopropane;5-piperazin-1-yl-3-(2-propyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine?
methylcyclopropane;5-piperazin-1-yl-3-(2-propyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 378.52 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methylcyclopropane;5-piperazin-1-yl-3-(2-propyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 176941825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).