[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-pyridinyl]methanone

C20H21N5O3 — CID 71007923

IUPAC[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-pyridinyl]methanone
SMILESCC(C)Oc1nccc2[nH]nc(-c3ccnc(C(=O)N4C[C@@H]5C[C@H]4CO5)c3)c12
InChIInChI=1S/C20H21N5O3/c1-11(2)28-19-17-15(4-6-22-19)23-24-18(17)12-3-5-21-16(7-12)20(26)25-9-14-8-13(25)10-27-14/h3-7,11,13-14H,8-10H2,1-2H3,(H,23,24)/t13-,14-/m0/s1
InChIKeyRROVYAUZQJOFIR-KBPBESRZSA-N
MW379.42 g/mol
LogP2.42
Rot. Bonds4

About [(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-pyridinyl]methanone

[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-pyridinyl]methanone (PubChem CID 71007923) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is [(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-pyridinyl]methanone
PubChem CID71007923
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-pyridinyl]methanone
SMILESCC(C)Oc1nccc2[nH]nc(-c3ccnc(C(=O)N4C[C@@H]5C[C@H]4CO5)c3)c12
InChIInChI=1S/C20H21N5O3/c1-11(2)28-19-17-15(4-6-22-19)23-24-18(17)12-3-5-21-16(7-12)20(26)25-9-14-8-13(25)10-27-14/h3-7,11,13-14H,8-10H2,1-2H3,(H,23,24)/t13-,14-/m0/s1
InChIKeyRROVYAUZQJOFIR-KBPBESRZSA-N
XLogP2.42
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-pyridinyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-pyridinyl]methanone?
The IUPAC name of [(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-pyridinyl]methanone (CID 71007923) is [(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-pyridinyl]methanone.
What is the SMILES notation for [(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-pyridinyl]methanone?
The canonical SMILES for [(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-pyridinyl]methanone is CC(C)Oc1nccc2[nH]nc(-c3ccnc(C(=O)N4C[C@@H]5C[C@H]4CO5)c3)c12.
What is the InChIKey of [(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-pyridinyl]methanone?
The InChIKey is RROVYAUZQJOFIR-KBPBESRZSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-11(2)28-19-17-15(4-6-22-19)23-24-18(17)12-3-5-21-16(7-12)20(26)25-9-14-8-13(25)10-27-14/h3-7,11,13-14H,8-10H2,1-2H3,(H,23,24)/t13-,14-/m0/s1.
What are the key properties of [(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-pyridinyl]methanone?
[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-pyridinyl]methanone has a molecular weight of 379.42 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 71007923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).