3-imidazol-1-yl-1-[4-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]propan-1-one

C18H22N6O — CID 110132773

IUPAC3-imidazol-1-yl-1-[4-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]propan-1-one
SMILESCc1cc(C2CCN(C(=O)CCn3ccnc3)CC2)nc2ccnn12
InChIInChI=1S/C18H22N6O/c1-14-12-16(21-17-2-6-20-24(14)17)15-3-9-23(10-4-15)18(25)5-8-22-11-7-19-13-22/h2,6-7,11-13,15H,3-5,8-10H2,1H3
InChIKeyMQEAZMPIEYBMFA-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.03
Rot. Bonds4

About 3-imidazol-1-yl-1-[4-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]propan-1-one

3-imidazol-1-yl-1-[4-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]propan-1-one (PubChem CID 110132773) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 3-imidazol-1-yl-1-[4-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-imidazol-1-yl-1-[4-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]propan-1-one
PubChem CID110132773
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name3-imidazol-1-yl-1-[4-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]propan-1-one
SMILESCc1cc(C2CCN(C(=O)CCn3ccnc3)CC2)nc2ccnn12
InChIInChI=1S/C18H22N6O/c1-14-12-16(21-17-2-6-20-24(14)17)15-3-9-23(10-4-15)18(25)5-8-22-11-7-19-13-22/h2,6-7,11-13,15H,3-5,8-10H2,1H3
InChIKeyMQEAZMPIEYBMFA-UHFFFAOYSA-N
XLogP2.03
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 110132835
1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 110129247
1-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 118795553
(4aS,9aS)-7-(3-imidazol-1-ylpropanoyl)-4-methyl-4a,5,6,8,9,9a-hexahydro-[1,4]oxazino[2,3-d]azepin-3-one
CID 110127038
3-(5-methylpyrazol-1-yl)-1-[4-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]propan-1-one
CID 110245114
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 66260854
3-imidazol-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 63248882
3-imidazol-1-yl-1-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 110104632
3-imidazol-1-yl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one
CID 81469967
4-[(2S)-4-(3-imidazol-1-ylpropanoyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137166570
1-[3,5-bis(3-imidazol-1-ylpropanoyl)-1,3,5-triazinan-1-yl]-3-imidazol-1-ylpropan-1-one
CID 118048041
3-imidazol-1-yl-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
CID 95734905

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-1-[4-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-imidazol-1-yl-1-[4-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]propan-1-one (CID 110132773) is 3-imidazol-1-yl-1-[4-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-imidazol-1-yl-1-[4-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-imidazol-1-yl-1-[4-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]propan-1-one is Cc1cc(C2CCN(C(=O)CCn3ccnc3)CC2)nc2ccnn12.
What is the InChIKey of 3-imidazol-1-yl-1-[4-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]propan-1-one?
The InChIKey is MQEAZMPIEYBMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-14-12-16(21-17-2-6-20-24(14)17)15-3-9-23(10-4-15)18(25)5-8-22-11-7-19-13-22/h2,6-7,11-13,15H,3-5,8-10H2,1H3.
What are the key properties of 3-imidazol-1-yl-1-[4-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]propan-1-one?
3-imidazol-1-yl-1-[4-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]propan-1-one has a molecular weight of 338.42 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-1-[4-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110132773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).