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

C21H20N6O2 — CID 134539548

IUPACN-[(2R)-2-amino-3-hydroxypropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESN[C@@H](CO)CNC(=O)c1ccnc(-c2cnn3ccc(-c4ccccc4)nc23)c1
InChIInChI=1S/C21H20N6O2/c22-16(13-28)11-24-21(29)15-6-8-23-19(10-15)17-12-25-27-9-7-18(26-20(17)27)14-4-2-1-3-5-14/h1-10,12,16,28H,11,13,22H2,(H,24,29)/t16-/m1/s1
InChIKeyXFGCSWCTNZZPDS-MRXNPFEDSA-N
MW388.43 g/mol
LogP1.51
Rot. Bonds6

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

N-[(2R)-2-amino-3-hydroxypropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (PubChem CID 134539548) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[(2R)-2-amino-3-hydroxypropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-amino-3-hydroxypropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
PubChem CID134539548
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC NameN-[(2R)-2-amino-3-hydroxypropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESN[C@@H](CO)CNC(=O)c1ccnc(-c2cnn3ccc(-c4ccccc4)nc23)c1
InChIInChI=1S/C21H20N6O2/c22-16(13-28)11-24-21(29)15-6-8-23-19(10-15)17-12-25-27-9-7-18(26-20(17)27)14-4-2-1-3-5-14/h1-10,12,16,28H,11,13,22H2,(H,24,29)/t16-/m1/s1
InChIKeyXFGCSWCTNZZPDS-MRXNPFEDSA-N
XLogP1.51
TPSA118.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-amino-3-hydroxypropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The IUPAC name of N-[(2R)-2-amino-3-hydroxypropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (CID 134539548) is N-[(2R)-2-amino-3-hydroxypropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-amino-3-hydroxypropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[(2R)-2-amino-3-hydroxypropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is N[C@@H](CO)CNC(=O)c1ccnc(-c2cnn3ccc(-c4ccccc4)nc23)c1.
What is the InChIKey of N-[(2R)-2-amino-3-hydroxypropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The InChIKey is XFGCSWCTNZZPDS-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H20N6O2/c22-16(13-28)11-24-21(29)15-6-8-23-19(10-15)17-12-25-27-9-7-18(26-20(17)27)14-4-2-1-3-5-14/h1-10,12,16,28H,11,13,22H2,(H,24,29)/t16-/m1/s1.
What are the key properties of N-[(2R)-2-amino-3-hydroxypropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
N-[(2R)-2-amino-3-hydroxypropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-amino-3-hydroxypropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134539548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).