N-[(2S)-2-aminopropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide

C21H20N6O — CID 134539678

IUPACN-[(2S)-2-aminopropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESC[C@H](N)CNC(=O)c1ccnc(-c2cnn3ccc(-c4ccccc4)nc23)c1
InChIInChI=1S/C21H20N6O/c1-14(22)12-24-21(28)16-7-9-23-19(11-16)17-13-25-27-10-8-18(26-20(17)27)15-5-3-2-4-6-15/h2-11,13-14H,12,22H2,1H3,(H,24,28)/t14-/m0/s1
InChIKeyFLZALHXURPYWJL-AWEZNQCLSA-N
MW372.43 g/mol
LogP2.54
Rot. Bonds5

About N-[(2S)-2-aminopropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide

N-[(2S)-2-aminopropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (PubChem CID 134539678) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[(2S)-2-aminopropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-aminopropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
PubChem CID134539678
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC NameN-[(2S)-2-aminopropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESC[C@H](N)CNC(=O)c1ccnc(-c2cnn3ccc(-c4ccccc4)nc23)c1
InChIInChI=1S/C21H20N6O/c1-14(22)12-24-21(28)16-7-9-23-19(11-16)17-13-25-27-10-8-18(26-20(17)27)15-5-3-2-4-6-15/h2-11,13-14H,12,22H2,1H3,(H,24,28)/t14-/m0/s1
InChIKeyFLZALHXURPYWJL-AWEZNQCLSA-N
XLogP2.54
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-aminopropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The IUPAC name of N-[(2S)-2-aminopropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (CID 134539678) is N-[(2S)-2-aminopropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-aminopropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[(2S)-2-aminopropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is C[C@H](N)CNC(=O)c1ccnc(-c2cnn3ccc(-c4ccccc4)nc23)c1.
What is the InChIKey of N-[(2S)-2-aminopropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The InChIKey is FLZALHXURPYWJL-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H20N6O/c1-14(22)12-24-21(28)16-7-9-23-19(11-16)17-13-25-27-10-8-18(26-20(17)27)15-5-3-2-4-6-15/h2-11,13-14H,12,22H2,1H3,(H,24,28)/t14-/m0/s1.
What are the key properties of N-[(2S)-2-aminopropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
N-[(2S)-2-aminopropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-aminopropyl]-2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134539678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).