(2-butan-2-yloxy-4-pyridinyl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone

C16H20N4O2 — CID 75446913

IUPAC(2-butan-2-yloxy-4-pyridinyl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
SMILESCCC(C)Oc1cc(C(=O)N2CCc3[nH]ncc3C2)ccn1
InChIInChI=1S/C16H20N4O2/c1-3-11(2)22-15-8-12(4-6-17-15)16(21)20-7-5-14-13(10-20)9-18-19-14/h4,6,8-9,11H,3,5,7,10H2,1-2H3,(H,18,19)
InChIKeyMNWICVRYUANWSQ-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.18
Rot. Bonds4

About (2-butan-2-yloxy-4-pyridinyl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone

(2-butan-2-yloxy-4-pyridinyl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone (PubChem CID 75446913) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2-butan-2-yloxy-4-pyridinyl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(2-butan-2-yloxy-4-pyridinyl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
PubChem CID75446913
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(2-butan-2-yloxy-4-pyridinyl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
SMILESCCC(C)Oc1cc(C(=O)N2CCc3[nH]ncc3C2)ccn1
InChIInChI=1S/C16H20N4O2/c1-3-11(2)22-15-8-12(4-6-17-15)16(21)20-7-5-14-13(10-20)9-18-19-14/h4,6,8-9,11H,3,5,7,10H2,1-2H3,(H,18,19)
InChIKeyMNWICVRYUANWSQ-UHFFFAOYSA-N
XLogP2.18
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-butan-2-yloxy-4-pyridinyl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone with MolForge

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Related Compounds

(4-butoxyphenyl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 86859849
[4-(6-ethoxypyridazin-3-yl)phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 122556617
[2-[(2S)-butan-2-yl]oxy-4-pyridinyl]-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]methanone
CID 99776885
(2-butan-2-yloxy-4-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 75483584
(2-butan-2-yloxy-4-pyridinyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 75472306
[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 97337826
[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-[4-(oxan-4-yl)piperidin-1-yl]methanone
CID 97338435
2-butyl-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)isoindole-1,3-dione
CID 86859855
(5-chloro-2-propoxyphenyl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 71977744
3-[(2R)-4-methylpentan-2-yl]oxy-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 97050780
[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 86859757
(2R)-1-(2-butan-2-yloxypyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 120537390

Frequently Asked Questions

What is the IUPAC name of (2-butan-2-yloxy-4-pyridinyl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of (2-butan-2-yloxy-4-pyridinyl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone (CID 75446913) is (2-butan-2-yloxy-4-pyridinyl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for (2-butan-2-yloxy-4-pyridinyl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for (2-butan-2-yloxy-4-pyridinyl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone is CCC(C)Oc1cc(C(=O)N2CCc3[nH]ncc3C2)ccn1.
What is the InChIKey of (2-butan-2-yloxy-4-pyridinyl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is MNWICVRYUANWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-3-11(2)22-15-8-12(4-6-17-15)16(21)20-7-5-14-13(10-20)9-18-19-14/h4,6,8-9,11H,3,5,7,10H2,1-2H3,(H,18,19).
What are the key properties of (2-butan-2-yloxy-4-pyridinyl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
(2-butan-2-yloxy-4-pyridinyl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 300.36 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butan-2-yloxy-4-pyridinyl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 75446913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).