5-(2-ethyl-3-pyridinyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine

C20H25N5O — CID 151637141

IUPAC5-(2-ethyl-3-pyridinyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCCc1ncccc1-c1cc(N[C@@H]2CCOC2)c2c(cnn2C(C)C)n1
InChIInChI=1S/C20H25N5O/c1-4-16-15(6-5-8-21-16)17-10-18(23-14-7-9-26-12-14)20-19(24-17)11-22-25(20)13(2)3/h5-6,8,10-11,13-14H,4,7,9,12H2,1-3H3,(H,23,24)/t14-/m1/s1
InChIKeyQRTAPOBNVSQICM-CQSZACIVSA-N
MW351.45 g/mol
LogP3.84
Rot. Bonds5

About 5-(2-ethyl-3-pyridinyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine

5-(2-ethyl-3-pyridinyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (PubChem CID 151637141) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 5-(2-ethyl-3-pyridinyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-(2-ethyl-3-pyridinyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
PubChem CID151637141
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name5-(2-ethyl-3-pyridinyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCCc1ncccc1-c1cc(N[C@@H]2CCOC2)c2c(cnn2C(C)C)n1
InChIInChI=1S/C20H25N5O/c1-4-16-15(6-5-8-21-16)17-10-18(23-14-7-9-26-12-14)20-19(24-17)11-22-25(20)13(2)3/h5-6,8,10-11,13-14H,4,7,9,12H2,1-3H3,(H,23,24)/t14-/m1/s1
InChIKeyQRTAPOBNVSQICM-CQSZACIVSA-N
XLogP3.84
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyl-3-pyridinyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-(2-ethyl-3-pyridinyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (CID 151637141) is 5-(2-ethyl-3-pyridinyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-(2-ethyl-3-pyridinyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-(2-ethyl-3-pyridinyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is CCc1ncccc1-c1cc(N[C@@H]2CCOC2)c2c(cnn2C(C)C)n1.
What is the InChIKey of 5-(2-ethyl-3-pyridinyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The InChIKey is QRTAPOBNVSQICM-CQSZACIVSA-N. The full InChI is InChI=1S/C20H25N5O/c1-4-16-15(6-5-8-21-16)17-10-18(23-14-7-9-26-12-14)20-19(24-17)11-22-25(20)13(2)3/h5-6,8,10-11,13-14H,4,7,9,12H2,1-3H3,(H,23,24)/t14-/m1/s1.
What are the key properties of 5-(2-ethyl-3-pyridinyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
5-(2-ethyl-3-pyridinyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 351.45 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-3-pyridinyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 151637141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).