(3R)-3-[[5-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-5-yl]-1-ethylpyrazol-4-yl]oxymethyl]pyrrolidine-1-carboxylic acid

C22H26N6O4 — CID 174155372

IUPAC(3R)-3-[[5-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-5-yl]-1-ethylpyrazol-4-yl]oxymethyl]pyrrolidine-1-carboxylic acid
SMILESCCn1ncc(OC[C@@H]2CCN(C(=O)O)C2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
InChIInChI=1S/C22H26N6O4/c1-2-27-20(18(11-23-27)32-13-14-5-7-26(12-14)22(30)31)16-6-8-28-17(9-16)10-19(25-28)24-21(29)15-3-4-15/h6,8-11,14-15H,2-5,7,12-13H2,1H3,(H,30,31)(H,24,25,29)/t14-/m1/s1
InChIKeyNRJVIPKZVZDSRX-CQSZACIVSA-N
MW438.49 g/mol
LogP2.94
Rot. Bonds7

About (3R)-3-[[5-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-5-yl]-1-ethylpyrazol-4-yl]oxymethyl]pyrrolidine-1-carboxylic acid

(3R)-3-[[5-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-5-yl]-1-ethylpyrazol-4-yl]oxymethyl]pyrrolidine-1-carboxylic acid (PubChem CID 174155372) has the molecular formula C22H26N6O4 and a molecular weight of 438.49 g/mol. Its IUPAC name is (3R)-3-[[5-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-5-yl]-1-ethylpyrazol-4-yl]oxymethyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[[5-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-5-yl]-1-ethylpyrazol-4-yl]oxymethyl]pyrrolidine-1-carboxylic acid
PubChem CID174155372
Molecular FormulaC22H26N6O4
Molecular Weight438.49 g/mol
Exact Mass438.20
IUPAC Name(3R)-3-[[5-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-5-yl]-1-ethylpyrazol-4-yl]oxymethyl]pyrrolidine-1-carboxylic acid
SMILESCCn1ncc(OC[C@@H]2CCN(C(=O)O)C2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
InChIInChI=1S/C22H26N6O4/c1-2-27-20(18(11-23-27)32-13-14-5-7-26(12-14)22(30)31)16-6-8-28-17(9-16)10-19(25-28)24-21(29)15-3-4-15/h6,8-11,14-15H,2-5,7,12-13H2,1H3,(H,30,31)(H,24,25,29)/t14-/m1/s1
InChIKeyNRJVIPKZVZDSRX-CQSZACIVSA-N
XLogP2.94
TPSA113.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3R)-3-[[5-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-5-yl]-1-ethylpyrazol-4-yl]oxymethyl]pyrrolidine-1-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[5-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-5-yl]-1-ethylpyrazol-4-yl]oxymethyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of (3R)-3-[[5-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-5-yl]-1-ethylpyrazol-4-yl]oxymethyl]pyrrolidine-1-carboxylic acid (CID 174155372) is (3R)-3-[[5-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-5-yl]-1-ethylpyrazol-4-yl]oxymethyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-[[5-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-5-yl]-1-ethylpyrazol-4-yl]oxymethyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (3R)-3-[[5-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-5-yl]-1-ethylpyrazol-4-yl]oxymethyl]pyrrolidine-1-carboxylic acid is CCn1ncc(OC[C@@H]2CCN(C(=O)O)C2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1.
What is the InChIKey of (3R)-3-[[5-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-5-yl]-1-ethylpyrazol-4-yl]oxymethyl]pyrrolidine-1-carboxylic acid?
The InChIKey is NRJVIPKZVZDSRX-CQSZACIVSA-N. The full InChI is InChI=1S/C22H26N6O4/c1-2-27-20(18(11-23-27)32-13-14-5-7-26(12-14)22(30)31)16-6-8-28-17(9-16)10-19(25-28)24-21(29)15-3-4-15/h6,8-11,14-15H,2-5,7,12-13H2,1H3,(H,30,31)(H,24,25,29)/t14-/m1/s1.
What are the key properties of (3R)-3-[[5-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-5-yl]-1-ethylpyrazol-4-yl]oxymethyl]pyrrolidine-1-carboxylic acid?
(3R)-3-[[5-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-5-yl]-1-ethylpyrazol-4-yl]oxymethyl]pyrrolidine-1-carboxylic acid has a molecular weight of 438.49 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[5-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-5-yl]-1-ethylpyrazol-4-yl]oxymethyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 174155372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).