N-(5-chloro-1-morpholin-2-ylpyrazol-4-yl)-4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C15H18ClN7O2 — CID 118288992

IUPACN-(5-chloro-1-morpholin-2-ylpyrazol-4-yl)-4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCCOc1nc(Nc2cnn(C3CNCCO3)c2Cl)nc2[nH]ccc12
InChIInChI=1S/C15H18ClN7O2/c1-2-24-14-9-3-4-18-13(9)21-15(22-14)20-10-7-19-23(12(10)16)11-8-17-5-6-25-11/h3-4,7,11,17H,2,5-6,8H2,1H3,(H2,18,20,21,22)
InChIKeyALSJGQOWZYKULT-UHFFFAOYSA-N
MW363.81 g/mol
LogP2.07
Rot. Bonds5

About N-(5-chloro-1-morpholin-2-ylpyrazol-4-yl)-4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine

N-(5-chloro-1-morpholin-2-ylpyrazol-4-yl)-4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 118288992) has the molecular formula C15H18ClN7O2 and a molecular weight of 363.81 g/mol. Its IUPAC name is N-(5-chloro-1-morpholin-2-ylpyrazol-4-yl)-4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(5-chloro-1-morpholin-2-ylpyrazol-4-yl)-4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID118288992
Molecular FormulaC15H18ClN7O2
Molecular Weight363.81 g/mol
Exact Mass363.12
IUPAC NameN-(5-chloro-1-morpholin-2-ylpyrazol-4-yl)-4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCCOc1nc(Nc2cnn(C3CNCCO3)c2Cl)nc2[nH]ccc12
InChIInChI=1S/C15H18ClN7O2/c1-2-24-14-9-3-4-18-13(9)21-15(22-14)20-10-7-19-23(12(10)16)11-8-17-5-6-25-11/h3-4,7,11,17H,2,5-6,8H2,1H3,(H2,18,20,21,22)
InChIKeyALSJGQOWZYKULT-UHFFFAOYSA-N
XLogP2.07
TPSA101.91 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1-morpholin-2-ylpyrazol-4-yl)-4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-(5-chloro-1-morpholin-2-ylpyrazol-4-yl)-4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 118288992) is N-(5-chloro-1-morpholin-2-ylpyrazol-4-yl)-4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-(5-chloro-1-morpholin-2-ylpyrazol-4-yl)-4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-(5-chloro-1-morpholin-2-ylpyrazol-4-yl)-4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine is CCOc1nc(Nc2cnn(C3CNCCO3)c2Cl)nc2[nH]ccc12.
What is the InChIKey of N-(5-chloro-1-morpholin-2-ylpyrazol-4-yl)-4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is ALSJGQOWZYKULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN7O2/c1-2-24-14-9-3-4-18-13(9)21-15(22-14)20-10-7-19-23(12(10)16)11-8-17-5-6-25-11/h3-4,7,11,17H,2,5-6,8H2,1H3,(H2,18,20,21,22).
What are the key properties of N-(5-chloro-1-morpholin-2-ylpyrazol-4-yl)-4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
N-(5-chloro-1-morpholin-2-ylpyrazol-4-yl)-4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 363.81 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1-morpholin-2-ylpyrazol-4-yl)-4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 118288992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).