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

C20H25N5O2 — CID 155472532

IUPAC5-[5-(methoxymethyl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCOCc1cncc(-c2cc(N[C@@H]3CCOC3)c3c(cnn3C(C)C)n2)c1
InChIInChI=1S/C20H25N5O2/c1-13(2)25-20-18(23-16-4-5-27-12-16)7-17(24-19(20)10-22-25)15-6-14(11-26-3)8-21-9-15/h6-10,13,16H,4-5,11-12H2,1-3H3,(H,23,24)/t16-/m1/s1
InChIKeyUBZJIPNRNQCRTR-MRXNPFEDSA-N
MW367.45 g/mol
LogP3.42
Rot. Bonds6

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

5-[5-(methoxymethyl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (PubChem CID 155472532) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 5-[5-(methoxymethyl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-[5-(methoxymethyl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
PubChem CID155472532
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name5-[5-(methoxymethyl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCOCc1cncc(-c2cc(N[C@@H]3CCOC3)c3c(cnn3C(C)C)n2)c1
InChIInChI=1S/C20H25N5O2/c1-13(2)25-20-18(23-16-4-5-27-12-16)7-17(24-19(20)10-22-25)15-6-14(11-26-3)8-21-9-15/h6-10,13,16H,4-5,11-12H2,1-3H3,(H,23,24)/t16-/m1/s1
InChIKeyUBZJIPNRNQCRTR-MRXNPFEDSA-N
XLogP3.42
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(methoxymethyl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-[5-(methoxymethyl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (CID 155472532) is 5-[5-(methoxymethyl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-[5-(methoxymethyl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-[5-(methoxymethyl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is COCc1cncc(-c2cc(N[C@@H]3CCOC3)c3c(cnn3C(C)C)n2)c1.
What is the InChIKey of 5-[5-(methoxymethyl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The InChIKey is UBZJIPNRNQCRTR-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-13(2)25-20-18(23-16-4-5-27-12-16)7-17(24-19(20)10-22-25)15-6-14(11-26-3)8-21-9-15/h6-10,13,16H,4-5,11-12H2,1-3H3,(H,23,24)/t16-/m1/s1.
What are the key properties of 5-[5-(methoxymethyl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
5-[5-(methoxymethyl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 367.45 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(methoxymethyl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 155472532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).