4-[4-(1H-indazol-7-yl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine

C22H21N7O — CID 71520868

IUPAC4-[4-(1H-indazol-7-yl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine
SMILESC1CN(C2=NC(=NC(=C21)C3=CC=CC4=C3NN=C4)N5CCOCC5)C6=CC=NC=C6
InChIInChI=1S/C22H21N7O/c1-2-15-14-24-27-19(15)17(3-1)20-18-6-9-29(16-4-7-23-8-5-16)21(18)26-22(25-20)28-10-12-30-13-11-28/h1-5,7-8,14H,6,9-13H2,(H,24,27)
InChIKeyFZJDGWASYASXGQ-UHFFFAOYSA-N
MW399.40 g/mol
LogP2.60
Rot. Bonds3

About 4-[4-(1H-indazol-7-yl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine

4-[4-(1H-indazol-7-yl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine (PubChem CID 71520868) has the molecular formula C22H21N7O and a molecular weight of 399.40 g/mol. Its IUPAC name is 4-[4-(1H-indazol-7-yl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(1H-indazol-7-yl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine
PubChem CID71520868
Molecular FormulaC22H21N7O
Molecular Weight399.40 g/mol
Exact Mass399.18
IUPAC Name4-[4-(1H-indazol-7-yl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine
SMILESC1CN(C2=NC(=NC(=C21)C3=CC=CC4=C3NN=C4)N5CCOCC5)C6=CC=NC=C6
InChIInChI=1S/C22H21N7O/c1-2-15-14-24-27-19(15)17(3-1)20-18-6-9-29(16-4-7-23-8-5-16)21(18)26-22(25-20)28-10-12-30-13-11-28/h1-5,7-8,14H,6,9-13H2,(H,24,27)
InChIKeyFZJDGWASYASXGQ-UHFFFAOYSA-N
XLogP2.60
TPSA83.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity582

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 4-[4-(1H-indazol-7-yl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Entospletinib
CID 59473233
Elimusertib
CID 118869362
Apy0201
CID 56927660
Bay-41-8543
CID 9953906
4-[4-(3-Quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]morpholine
CID 60182389
N-(1H-indazol-5-yl)-N'-[2-(1H-indol-3-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine
CID 10111591
1-[(2S)-4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine
CID 44129608
Pyrazolo pyrimidine, 5k
CID 25196900
4-[6-(1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-yl]morpholine
CID 25229526
pyrazolopyridine, (Rac)-14
CID 44221132
Pyrazolo pyrimidine, 5l
CID 44520816
6-(1H-indol-5-yl)-4-morpholin-4-yl-1-piperidin-4-yl-1H-pyrazolo[3,4-d]pyrimidine
CID 44520824

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-indazol-7-yl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-(1H-indazol-7-yl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine (CID 71520868) is 4-[4-(1H-indazol-7-yl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(1H-indazol-7-yl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-(1H-indazol-7-yl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine is C1CN(C2=NC(=NC(=C21)C3=CC=CC4=C3NN=C4)N5CCOCC5)C6=CC=NC=C6.
What is the InChIKey of 4-[4-(1H-indazol-7-yl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine?
The InChIKey is FZJDGWASYASXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c1-2-15-14-24-27-19(15)17(3-1)20-18-6-9-29(16-4-7-23-8-5-16)21(18)26-22(25-20)28-10-12-30-13-11-28/h1-5,7-8,14H,6,9-13H2,(H,24,27).
What are the key properties of 4-[4-(1H-indazol-7-yl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine?
4-[4-(1H-indazol-7-yl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine has a molecular weight of 399.40 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-indazol-7-yl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 71520868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).