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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Related Compounds

5-(1-methylpyrazol-4-yl)-3-[6-[(3R)-piperidin-3-yl]oxy-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 71253513
US10034861, Example 77
CID 132273376
US10034861, Example 85
CID 132273384
US10034861, Example 199
CID 132273487
US10034861, Example 1
CID 132273299
1'-[(3-methyl-1-pyridin-3-ylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 44561401
US10034861, Example 90
CID 132273387
US10034861, Example 89
CID 132273388
US10034861, Example 107
CID 132273405
US10034861, Example 116
CID 132273414
US10034861, Example 117
CID 132273416
US10766893, Example S165
CID 132273458

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).