1-[(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-3-pyrazolo[1,5-a]pyridin-3-ylurea

C21H25N5O2 — CID 71041152

IUPAC1-[(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-3-pyrazolo[1,5-a]pyridin-3-ylurea
SMILESCOCCN1CC(c2ccccc2)[C@H](NC(=O)Nc2cnn3ccccc23)C1
InChIInChI=1S/C21H25N5O2/c1-28-12-11-25-14-17(16-7-3-2-4-8-16)19(15-25)24-21(27)23-18-13-22-26-10-6-5-9-20(18)26/h2-10,13,17,19H,11-12,14-15H2,1H3,(H2,23,24,27)/t17?,19-/m1/s1
InChIKeyJXXVKQOTWAPXMB-WHCXFUJUSA-N
MW379.46 g/mol
LogP2.57
Rot. Bonds6

About 1-[(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-3-pyrazolo[1,5-a]pyridin-3-ylurea

1-[(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-3-pyrazolo[1,5-a]pyridin-3-ylurea (PubChem CID 71041152) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-[(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-3-pyrazolo[1,5-a]pyridin-3-ylurea.

Molecular Properties

Compound Name1-[(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-3-pyrazolo[1,5-a]pyridin-3-ylurea
PubChem CID71041152
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name1-[(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-3-pyrazolo[1,5-a]pyridin-3-ylurea
SMILESCOCCN1CC(c2ccccc2)[C@H](NC(=O)Nc2cnn3ccccc23)C1
InChIInChI=1S/C21H25N5O2/c1-28-12-11-25-14-17(16-7-3-2-4-8-16)19(15-25)24-21(27)23-18-13-22-26-10-6-5-9-20(18)26/h2-10,13,17,19H,11-12,14-15H2,1H3,(H2,23,24,27)/t17?,19-/m1/s1
InChIKeyJXXVKQOTWAPXMB-WHCXFUJUSA-N
XLogP2.57
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-3-pyrazolo[1,5-a]pyridin-3-ylurea?
The IUPAC name of 1-[(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-3-pyrazolo[1,5-a]pyridin-3-ylurea (CID 71041152) is 1-[(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-3-pyrazolo[1,5-a]pyridin-3-ylurea.
What is the SMILES notation for 1-[(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-3-pyrazolo[1,5-a]pyridin-3-ylurea?
The canonical SMILES for 1-[(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-3-pyrazolo[1,5-a]pyridin-3-ylurea is COCCN1CC(c2ccccc2)[C@H](NC(=O)Nc2cnn3ccccc23)C1.
What is the InChIKey of 1-[(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-3-pyrazolo[1,5-a]pyridin-3-ylurea?
The InChIKey is JXXVKQOTWAPXMB-WHCXFUJUSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-28-12-11-25-14-17(16-7-3-2-4-8-16)19(15-25)24-21(27)23-18-13-22-26-10-6-5-9-20(18)26/h2-10,13,17,19H,11-12,14-15H2,1H3,(H2,23,24,27)/t17?,19-/m1/s1.
What are the key properties of 1-[(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-3-pyrazolo[1,5-a]pyridin-3-ylurea?
1-[(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-3-pyrazolo[1,5-a]pyridin-3-ylurea has a molecular weight of 379.46 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-3-pyrazolo[1,5-a]pyridin-3-ylurea is sourced from PubChem (CID 71041152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).