[(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone;5-ethyl-2-[[(2S)-pyrrolidin-2-yl]methoxy]pyrimidine;methane;2-phenylpyrazolo[1,5-a]pyridine-3-carboxylic acid

C52H60N10O5 — CID 167585399

IUPAC[(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone;5-ethyl-2-[[(2S)-pyrrolidin-2-yl]methoxy]pyrimidine;methane;2-phenylpyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESC.C.CCc1cnc(OC[C@@H]2CCCN2)nc1.CCc1cnc(OC[C@@H]2CCCN2C(=O)c2c(-c3ccccc3)nn3ccccc23)nc1.O=C(O)c1c(-c2ccccc2)nn2ccccc12
InChIInChI=1S/C25H25N5O2.C14H10N2O2.C11H17N3O.2CH4/c1-2-18-15-26-25(27-16-18)32-17-20-11-8-13-29(20)24(31)22-21-12-6-7-14-30(21)28-23(22)19-9-4-3-5-10-19;17-14(18)12-11-8-4-5-9-16(11)15-13(12)10-6-2-1-3-7-10;1-2-9-6-13-11(14-7-9)15-8-10-4-3-5-12-10;;/h3-7,9-10,12,14-16,20H,2,8,11,13,17H2,1H3;1-9H,(H,17,18);6-7,10,12H,2-5,8H2,1H3;2*1H4/t20-;;10-;;/m0.0../s1
InChIKeyHSQUGQPSKDDBPJ-BWNBSGGMSA-N
MW905.12 g/mol
LogP9.18
Rot. Bonds12

About [(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone;5-ethyl-2-[[(2S)-pyrrolidin-2-yl]methoxy]pyrimidine;methane;2-phenylpyrazolo[1,5-a]pyridine-3-carboxylic acid

[(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone;5-ethyl-2-[[(2S)-pyrrolidin-2-yl]methoxy]pyrimidine;methane;2-phenylpyrazolo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 167585399) has the molecular formula C52H60N10O5 and a molecular weight of 905.12 g/mol. Its IUPAC name is [(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone;5-ethyl-2-[[(2S)-pyrrolidin-2-yl]methoxy]pyrimidine;methane;2-phenylpyrazolo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name[(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone;5-ethyl-2-[[(2S)-pyrrolidin-2-yl]methoxy]pyrimidine;methane;2-phenylpyrazolo[1,5-a]pyridine-3-carboxylic acid
PubChem CID167585399
Molecular FormulaC52H60N10O5
Molecular Weight905.12 g/mol
Exact Mass904.47
IUPAC Name[(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone;5-ethyl-2-[[(2S)-pyrrolidin-2-yl]methoxy]pyrimidine;methane;2-phenylpyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESC.C.CCc1cnc(OC[C@@H]2CCCN2)nc1.CCc1cnc(OC[C@@H]2CCCN2C(=O)c2c(-c3ccccc3)nn3ccccc23)nc1.O=C(O)c1c(-c2ccccc2)nn2ccccc12
InChIInChI=1S/C25H25N5O2.C14H10N2O2.C11H17N3O.2CH4/c1-2-18-15-26-25(27-16-18)32-17-20-11-8-13-29(20)24(31)22-21-12-6-7-14-30(21)28-23(22)19-9-4-3-5-10-19;17-14(18)12-11-8-4-5-9-16(11)15-13(12)10-6-2-1-3-7-10;1-2-9-6-13-11(14-7-9)15-8-10-4-3-5-12-10;;/h3-7,9-10,12,14-16,20H,2,8,11,13,17H2,1H3;1-9H,(H,17,18);6-7,10,12H,2-5,8H2,1H3;2*1H4/t20-;;10-;;/m0.0../s1
InChIKeyHSQUGQPSKDDBPJ-BWNBSGGMSA-N
XLogP9.18
TPSA174.26 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500905.12
LogP ≤ 59.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze [(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone;5-ethyl-2-[[(2S)-pyrrolidin-2-yl]methoxy]pyrimidine;methane;2-phenylpyrazolo[1,5-a]pyridine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone;5-ethyl-2-[[(2S)-pyrrolidin-2-yl]methoxy]pyrimidine;methane;2-phenylpyrazolo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of [(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone;5-ethyl-2-[[(2S)-pyrrolidin-2-yl]methoxy]pyrimidine;methane;2-phenylpyrazolo[1,5-a]pyridine-3-carboxylic acid (CID 167585399) is [(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone;5-ethyl-2-[[(2S)-pyrrolidin-2-yl]methoxy]pyrimidine;methane;2-phenylpyrazolo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for [(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone;5-ethyl-2-[[(2S)-pyrrolidin-2-yl]methoxy]pyrimidine;methane;2-phenylpyrazolo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for [(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone;5-ethyl-2-[[(2S)-pyrrolidin-2-yl]methoxy]pyrimidine;methane;2-phenylpyrazolo[1,5-a]pyridine-3-carboxylic acid is C.C.CCc1cnc(OC[C@@H]2CCCN2)nc1.CCc1cnc(OC[C@@H]2CCCN2C(=O)c2c(-c3ccccc3)nn3ccccc23)nc1.O=C(O)c1c(-c2ccccc2)nn2ccccc12.
What is the InChIKey of [(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone;5-ethyl-2-[[(2S)-pyrrolidin-2-yl]methoxy]pyrimidine;methane;2-phenylpyrazolo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is HSQUGQPSKDDBPJ-BWNBSGGMSA-N. The full InChI is InChI=1S/C25H25N5O2.C14H10N2O2.C11H17N3O.2CH4/c1-2-18-15-26-25(27-16-18)32-17-20-11-8-13-29(20)24(31)22-21-12-6-7-14-30(21)28-23(22)19-9-4-3-5-10-19;17-14(18)12-11-8-4-5-9-16(11)15-13(12)10-6-2-1-3-7-10;1-2-9-6-13-11(14-7-9)15-8-10-4-3-5-12-10;;/h3-7,9-10,12,14-16,20H,2,8,11,13,17H2,1H3;1-9H,(H,17,18);6-7,10,12H,2-5,8H2,1H3;2*1H4/t20-;;10-;;/m0.0../s1.
What are the key properties of [(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone;5-ethyl-2-[[(2S)-pyrrolidin-2-yl]methoxy]pyrimidine;methane;2-phenylpyrazolo[1,5-a]pyridine-3-carboxylic acid?
[(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone;5-ethyl-2-[[(2S)-pyrrolidin-2-yl]methoxy]pyrimidine;methane;2-phenylpyrazolo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 905.12 g/mol, XLogP of 9.18, 12 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone;5-ethyl-2-[[(2S)-pyrrolidin-2-yl]methoxy]pyrimidine;methane;2-phenylpyrazolo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 167585399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).