N-[(2R)-2-(diethylamino)-3-hydroxypropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide

C25H28N6O2 — CID 134539789

IUPACN-[(2R)-2-(diethylamino)-3-hydroxypropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCCN(CC)[C@@H](CO)CNC(=O)c1ccnc(-c2cnn3ccc(-c4ccccc4)nc23)c1
InChIInChI=1S/C25H28N6O2/c1-3-30(4-2)20(17-32)15-27-25(33)19-10-12-26-23(14-19)21-16-28-31-13-11-22(29-24(21)31)18-8-6-5-7-9-18/h5-14,16,20,32H,3-4,15,17H2,1-2H3,(H,27,33)/t20-/m1/s1
InChIKeyMUXFSZCDTDVBQQ-HXUWFJFHSA-N
MW444.54 g/mol
LogP2.89
Rot. Bonds9

About N-[(2R)-2-(diethylamino)-3-hydroxypropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide

N-[(2R)-2-(diethylamino)-3-hydroxypropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (PubChem CID 134539789) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[(2R)-2-(diethylamino)-3-hydroxypropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(diethylamino)-3-hydroxypropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
PubChem CID134539789
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC NameN-[(2R)-2-(diethylamino)-3-hydroxypropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCCN(CC)[C@@H](CO)CNC(=O)c1ccnc(-c2cnn3ccc(-c4ccccc4)nc23)c1
InChIInChI=1S/C25H28N6O2/c1-3-30(4-2)20(17-32)15-27-25(33)19-10-12-26-23(14-19)21-16-28-31-13-11-22(29-24(21)31)18-8-6-5-7-9-18/h5-14,16,20,32H,3-4,15,17H2,1-2H3,(H,27,33)/t20-/m1/s1
InChIKeyMUXFSZCDTDVBQQ-HXUWFJFHSA-N
XLogP2.89
TPSA95.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(diethylamino)-3-hydroxypropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The IUPAC name of N-[(2R)-2-(diethylamino)-3-hydroxypropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (CID 134539789) is N-[(2R)-2-(diethylamino)-3-hydroxypropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-(diethylamino)-3-hydroxypropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[(2R)-2-(diethylamino)-3-hydroxypropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is CCN(CC)[C@@H](CO)CNC(=O)c1ccnc(-c2cnn3ccc(-c4ccccc4)nc23)c1.
What is the InChIKey of N-[(2R)-2-(diethylamino)-3-hydroxypropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The InChIKey is MUXFSZCDTDVBQQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-3-30(4-2)20(17-32)15-27-25(33)19-10-12-26-23(14-19)21-16-28-31-13-11-22(29-24(21)31)18-8-6-5-7-9-18/h5-14,16,20,32H,3-4,15,17H2,1-2H3,(H,27,33)/t20-/m1/s1.
What are the key properties of N-[(2R)-2-(diethylamino)-3-hydroxypropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
N-[(2R)-2-(diethylamino)-3-hydroxypropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(diethylamino)-3-hydroxypropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134539789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).