4-amino-1-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]hexan-1-one

C23H23N5O — CID 147194743

IUPAC4-amino-1-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]hexan-1-one
SMILESCCC(N)CCC(=O)c1ccnc(-c2cnn3ccc(-c4ccccc4)nc23)c1
InChIInChI=1S/C23H23N5O/c1-2-18(24)8-9-22(29)17-10-12-25-21(14-17)19-15-26-28-13-11-20(27-23(19)28)16-6-4-3-5-7-16/h3-7,10-15,18H,2,8-9,24H2,1H3
InChIKeyCCDDAKFWNMAKDA-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.16
Rot. Bonds7

About 4-amino-1-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]hexan-1-one

4-amino-1-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]hexan-1-one (PubChem CID 147194743) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-amino-1-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]hexan-1-one.

Molecular Properties

Compound Name4-amino-1-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]hexan-1-one
PubChem CID147194743
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name4-amino-1-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]hexan-1-one
SMILESCCC(N)CCC(=O)c1ccnc(-c2cnn3ccc(-c4ccccc4)nc23)c1
InChIInChI=1S/C23H23N5O/c1-2-18(24)8-9-22(29)17-10-12-25-21(14-17)19-15-26-28-13-11-20(27-23(19)28)16-6-4-3-5-7-16/h3-7,10-15,18H,2,8-9,24H2,1H3
InChIKeyCCDDAKFWNMAKDA-UHFFFAOYSA-N
XLogP4.16
TPSA86.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]hexan-1-one?
The IUPAC name of 4-amino-1-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]hexan-1-one (CID 147194743) is 4-amino-1-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]hexan-1-one.
What is the SMILES notation for 4-amino-1-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]hexan-1-one?
The canonical SMILES for 4-amino-1-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]hexan-1-one is CCC(N)CCC(=O)c1ccnc(-c2cnn3ccc(-c4ccccc4)nc23)c1.
What is the InChIKey of 4-amino-1-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]hexan-1-one?
The InChIKey is CCDDAKFWNMAKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-2-18(24)8-9-22(29)17-10-12-25-21(14-17)19-15-26-28-13-11-20(27-23(19)28)16-6-4-3-5-7-16/h3-7,10-15,18H,2,8-9,24H2,1H3.
What are the key properties of 4-amino-1-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]hexan-1-one?
4-amino-1-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]hexan-1-one has a molecular weight of 385.47 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]hexan-1-one is sourced from PubChem (CID 147194743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).