N-[5-[6-(2-morpholin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C22H23N9O2 — CID 175079174

IUPACN-[5-[6-(2-morpholin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESc1nc(Nc2cn[nH]c2-c2nc3ccc(OCCN4CCOCC4)cc3[nH]2)c2cc[nH]c2n1
InChIInChI=1S/C22H23N9O2/c1-2-16-17(11-14(1)33-10-7-31-5-8-32-9-6-31)28-22(27-16)19-18(12-26-30-19)29-21-15-3-4-23-20(15)24-13-25-21/h1-4,11-13H,5-10H2,(H,26,30)(H,27,28)(H2,23,24,25,29)
InChIKeyONVBGJGFXCTJOH-UHFFFAOYSA-N
MW445.49 g/mol
LogP2.68
Rot. Bonds7

About N-[5-[6-(2-morpholin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-[5-[6-(2-morpholin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 175079174) has the molecular formula C22H23N9O2 and a molecular weight of 445.49 g/mol. Its IUPAC name is N-[5-[6-(2-morpholin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[5-[6-(2-morpholin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID175079174
Molecular FormulaC22H23N9O2
Molecular Weight445.49 g/mol
Exact Mass445.20
IUPAC NameN-[5-[6-(2-morpholin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESc1nc(Nc2cn[nH]c2-c2nc3ccc(OCCN4CCOCC4)cc3[nH]2)c2cc[nH]c2n1
InChIInChI=1S/C22H23N9O2/c1-2-16-17(11-14(1)33-10-7-31-5-8-32-9-6-31)28-22(27-16)19-18(12-26-30-19)29-21-15-3-4-23-20(15)24-13-25-21/h1-4,11-13H,5-10H2,(H,26,30)(H,27,28)(H2,23,24,25,29)
InChIKeyONVBGJGFXCTJOH-UHFFFAOYSA-N
XLogP2.68
TPSA132.66 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 52.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[5-[6-(2-morpholin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[6-(2-morpholin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[5-[6-(2-morpholin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 175079174) is N-[5-[6-(2-morpholin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[5-[6-(2-morpholin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[5-[6-(2-morpholin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is c1nc(Nc2cn[nH]c2-c2nc3ccc(OCCN4CCOCC4)cc3[nH]2)c2cc[nH]c2n1.
What is the InChIKey of N-[5-[6-(2-morpholin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is ONVBGJGFXCTJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N9O2/c1-2-16-17(11-14(1)33-10-7-31-5-8-32-9-6-31)28-22(27-16)19-18(12-26-30-19)29-21-15-3-4-23-20(15)24-13-25-21/h1-4,11-13H,5-10H2,(H,26,30)(H,27,28)(H2,23,24,25,29).
What are the key properties of N-[5-[6-(2-morpholin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[5-[6-(2-morpholin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 445.49 g/mol, XLogP of 2.68, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-(2-morpholin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 175079174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).