N-[3-methyl-6-[(3R)-piperidin-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]acetamide

C17H25N5O — CID 92627724

IUPACN-[3-methyl-6-[(3R)-piperidin-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]acetamide
SMILESCC(=O)Nc1cc([C@@H]2CCCNC2)nc2c1c(C)nn2C(C)C
InChIInChI=1S/C17H25N5O/c1-10(2)22-17-16(11(3)21-22)15(19-12(4)23)8-14(20-17)13-6-5-7-18-9-13/h8,10,13,18H,5-7,9H2,1-4H3,(H,19,20,23)/t13-/m1/s1
InChIKeyXQSZTRKBHKOLNS-CYBMUJFWSA-N
MW315.42 g/mol
LogP2.75
Rot. Bonds3

About N-[3-methyl-6-[(3R)-piperidin-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]acetamide

N-[3-methyl-6-[(3R)-piperidin-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]acetamide (PubChem CID 92627724) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[3-methyl-6-[(3R)-piperidin-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]acetamide.

Molecular Properties

Compound NameN-[3-methyl-6-[(3R)-piperidin-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]acetamide
PubChem CID92627724
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC NameN-[3-methyl-6-[(3R)-piperidin-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]acetamide
SMILESCC(=O)Nc1cc([C@@H]2CCCNC2)nc2c1c(C)nn2C(C)C
InChIInChI=1S/C17H25N5O/c1-10(2)22-17-16(11(3)21-22)15(19-12(4)23)8-14(20-17)13-6-5-7-18-9-13/h8,10,13,18H,5-7,9H2,1-4H3,(H,19,20,23)/t13-/m1/s1
InChIKeyXQSZTRKBHKOLNS-CYBMUJFWSA-N
XLogP2.75
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-6-[(3R)-piperidin-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]acetamide?
The IUPAC name of N-[3-methyl-6-[(3R)-piperidin-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]acetamide (CID 92627724) is N-[3-methyl-6-[(3R)-piperidin-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]acetamide.
What is the SMILES notation for N-[3-methyl-6-[(3R)-piperidin-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]acetamide?
The canonical SMILES for N-[3-methyl-6-[(3R)-piperidin-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]acetamide is CC(=O)Nc1cc([C@@H]2CCCNC2)nc2c1c(C)nn2C(C)C.
What is the InChIKey of N-[3-methyl-6-[(3R)-piperidin-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]acetamide?
The InChIKey is XQSZTRKBHKOLNS-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25N5O/c1-10(2)22-17-16(11(3)21-22)15(19-12(4)23)8-14(20-17)13-6-5-7-18-9-13/h8,10,13,18H,5-7,9H2,1-4H3,(H,19,20,23)/t13-/m1/s1.
What are the key properties of N-[3-methyl-6-[(3R)-piperidin-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]acetamide?
N-[3-methyl-6-[(3R)-piperidin-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]acetamide has a molecular weight of 315.42 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-6-[(3R)-piperidin-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]acetamide is sourced from PubChem (CID 92627724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).