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

C20H25N5O3 — CID 150226130

IUPAC5-(2,5-dimethoxy-4-pyridinyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCOc1cc(-c2cc(N[C@@H]3CCOC3)c3c(cnn3C(C)C)n2)c(OC)cn1
InChIInChI=1S/C20H25N5O3/c1-12(2)25-20-16(23-13-5-6-28-11-13)8-15(24-17(20)9-22-25)14-7-19(27-4)21-10-18(14)26-3/h7-10,12-13H,5-6,11H2,1-4H3,(H,23,24)/t13-/m1/s1
InChIKeyFUMQGQGPKVHDSV-CYBMUJFWSA-N
MW383.45 g/mol
LogP3.29
Rot. Bonds6

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

5-(2,5-dimethoxy-4-pyridinyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (PubChem CID 150226130) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 5-(2,5-dimethoxy-4-pyridinyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-(2,5-dimethoxy-4-pyridinyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
PubChem CID150226130
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name5-(2,5-dimethoxy-4-pyridinyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCOc1cc(-c2cc(N[C@@H]3CCOC3)c3c(cnn3C(C)C)n2)c(OC)cn1
InChIInChI=1S/C20H25N5O3/c1-12(2)25-20-16(23-13-5-6-28-11-13)8-15(24-17(20)9-22-25)14-7-19(27-4)21-10-18(14)26-3/h7-10,12-13H,5-6,11H2,1-4H3,(H,23,24)/t13-/m1/s1
InChIKeyFUMQGQGPKVHDSV-CYBMUJFWSA-N
XLogP3.29
TPSA83.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxy-4-pyridinyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-(2,5-dimethoxy-4-pyridinyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (CID 150226130) is 5-(2,5-dimethoxy-4-pyridinyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-(2,5-dimethoxy-4-pyridinyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-(2,5-dimethoxy-4-pyridinyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is COc1cc(-c2cc(N[C@@H]3CCOC3)c3c(cnn3C(C)C)n2)c(OC)cn1.
What is the InChIKey of 5-(2,5-dimethoxy-4-pyridinyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The InChIKey is FUMQGQGPKVHDSV-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-12(2)25-20-16(23-13-5-6-28-11-13)8-15(24-17(20)9-22-25)14-7-19(27-4)21-10-18(14)26-3/h7-10,12-13H,5-6,11H2,1-4H3,(H,23,24)/t13-/m1/s1.
What are the key properties of 5-(2,5-dimethoxy-4-pyridinyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
5-(2,5-dimethoxy-4-pyridinyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 383.45 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxy-4-pyridinyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 150226130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).