N-[2-[3-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide

C20H27N5O2 — CID 92550481

IUPACN-[2-[3-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCn1nc([C@@H]2CCN(C(=O)C3CCCC3)C2)c2cccnc21
InChIInChI=1S/C20H27N5O2/c1-14(26)21-10-12-25-19-17(7-4-9-22-19)18(23-25)16-8-11-24(13-16)20(27)15-5-2-3-6-15/h4,7,9,15-16H,2-3,5-6,8,10-13H2,1H3,(H,21,26)/t16-/m1/s1
InChIKeyHPNGXDNJGWKZAS-MRXNPFEDSA-N
MW369.47 g/mol
LogP2.07
Rot. Bonds5

About N-[2-[3-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide

N-[2-[3-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide (PubChem CID 92550481) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[2-[3-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
PubChem CID92550481
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-[2-[3-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCn1nc([C@@H]2CCN(C(=O)C3CCCC3)C2)c2cccnc21
InChIInChI=1S/C20H27N5O2/c1-14(26)21-10-12-25-19-17(7-4-9-22-19)18(23-25)16-8-11-24(13-16)20(27)15-5-2-3-6-15/h4,7,9,15-16H,2-3,5-6,8,10-13H2,1H3,(H,21,26)/t16-/m1/s1
InChIKeyHPNGXDNJGWKZAS-MRXNPFEDSA-N
XLogP2.07
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[3-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide (CID 92550481) is N-[2-[3-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[3-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[3-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide is CC(=O)NCCn1nc([C@@H]2CCN(C(=O)C3CCCC3)C2)c2cccnc21.
What is the InChIKey of N-[2-[3-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide?
The InChIKey is HPNGXDNJGWKZAS-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-14(26)21-10-12-25-19-17(7-4-9-22-19)18(23-25)16-8-11-24(13-16)20(27)15-5-2-3-6-15/h4,7,9,15-16H,2-3,5-6,8,10-13H2,1H3,(H,21,26)/t16-/m1/s1.
What are the key properties of N-[2-[3-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide?
N-[2-[3-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide has a molecular weight of 369.47 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide is sourced from PubChem (CID 92550481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).