N-[1-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-5-methylpyrazol-4-yl]-4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C19H25N7O — CID 118288926

IUPACN-[1-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-5-methylpyrazol-4-yl]-4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCCOc1nc(Nc2cnn(CCN3CC4CC4C3)c2C)nc2[nH]ccc12
InChIInChI=1S/C19H25N7O/c1-3-27-18-15-4-5-20-17(15)23-19(24-18)22-16-9-21-26(12(16)2)7-6-25-10-13-8-14(13)11-25/h4-5,9,13-14H,3,6-8,10-11H2,1-2H3,(H2,20,22,23,24)
InChIKeyUQXUWSIPZCTHNK-UHFFFAOYSA-N
MW367.46 g/mol
LogP2.56
Rot. Bonds7

About N-[1-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-5-methylpyrazol-4-yl]-4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine

N-[1-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-5-methylpyrazol-4-yl]-4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 118288926) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is N-[1-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-5-methylpyrazol-4-yl]-4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-5-methylpyrazol-4-yl]-4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID118288926
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC NameN-[1-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-5-methylpyrazol-4-yl]-4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCCOc1nc(Nc2cnn(CCN3CC4CC4C3)c2C)nc2[nH]ccc12
InChIInChI=1S/C19H25N7O/c1-3-27-18-15-4-5-20-17(15)23-19(24-18)22-16-9-21-26(12(16)2)7-6-25-10-13-8-14(13)11-25/h4-5,9,13-14H,3,6-8,10-11H2,1-2H3,(H2,20,22,23,24)
InChIKeyUQXUWSIPZCTHNK-UHFFFAOYSA-N
XLogP2.56
TPSA83.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-5-methylpyrazol-4-yl]-4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-5-methylpyrazol-4-yl]-4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-[1-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-5-methylpyrazol-4-yl]-4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 118288926) is N-[1-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-5-methylpyrazol-4-yl]-4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-[1-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-5-methylpyrazol-4-yl]-4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-[1-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-5-methylpyrazol-4-yl]-4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine is CCOc1nc(Nc2cnn(CCN3CC4CC4C3)c2C)nc2[nH]ccc12.
What is the InChIKey of N-[1-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-5-methylpyrazol-4-yl]-4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is UQXUWSIPZCTHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O/c1-3-27-18-15-4-5-20-17(15)23-19(24-18)22-16-9-21-26(12(16)2)7-6-25-10-13-8-14(13)11-25/h4-5,9,13-14H,3,6-8,10-11H2,1-2H3,(H2,20,22,23,24).
What are the key properties of N-[1-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-5-methylpyrazol-4-yl]-4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
N-[1-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-5-methylpyrazol-4-yl]-4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 367.46 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-5-methylpyrazol-4-yl]-4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 118288926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).