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

C23H24N6O2 — CID 134539655

IUPACN-[(2R)-2-(ethylamino)-3-hydroxypropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCCN[C@@H](CO)CNC(=O)c1ccnc(-c2cnn3ccc(-c4ccccc4)nc23)c1
InChIInChI=1S/C23H24N6O2/c1-2-24-18(15-30)13-26-23(31)17-8-10-25-21(12-17)19-14-27-29-11-9-20(28-22(19)29)16-6-4-3-5-7-16/h3-12,14,18,24,30H,2,13,15H2,1H3,(H,26,31)/t18-/m1/s1
InChIKeyUYTLRIQCNUYRKL-GOSISDBHSA-N
MW416.49 g/mol
LogP2.16
Rot. Bonds8

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

N-[(2R)-2-(ethylamino)-3-hydroxypropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (PubChem CID 134539655) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)-3-hydroxypropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)-3-hydroxypropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
PubChem CID134539655
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC NameN-[(2R)-2-(ethylamino)-3-hydroxypropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCCN[C@@H](CO)CNC(=O)c1ccnc(-c2cnn3ccc(-c4ccccc4)nc23)c1
InChIInChI=1S/C23H24N6O2/c1-2-24-18(15-30)13-26-23(31)17-8-10-25-21(12-17)19-14-27-29-11-9-20(28-22(19)29)16-6-4-3-5-7-16/h3-12,14,18,24,30H,2,13,15H2,1H3,(H,26,31)/t18-/m1/s1
InChIKeyUYTLRIQCNUYRKL-GOSISDBHSA-N
XLogP2.16
TPSA104.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)-3-hydroxypropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The IUPAC name of N-[(2R)-2-(ethylamino)-3-hydroxypropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (CID 134539655) is N-[(2R)-2-(ethylamino)-3-hydroxypropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-(ethylamino)-3-hydroxypropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[(2R)-2-(ethylamino)-3-hydroxypropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is CCN[C@@H](CO)CNC(=O)c1ccnc(-c2cnn3ccc(-c4ccccc4)nc23)c1.
What is the InChIKey of N-[(2R)-2-(ethylamino)-3-hydroxypropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The InChIKey is UYTLRIQCNUYRKL-GOSISDBHSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-2-24-18(15-30)13-26-23(31)17-8-10-25-21(12-17)19-14-27-29-11-9-20(28-22(19)29)16-6-4-3-5-7-16/h3-12,14,18,24,30H,2,13,15H2,1H3,(H,26,31)/t18-/m1/s1.
What are the key properties of N-[(2R)-2-(ethylamino)-3-hydroxypropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
N-[(2R)-2-(ethylamino)-3-hydroxypropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide has a molecular weight of 416.49 g/mol, XLogP of 2.16, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)-3-hydroxypropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134539655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).