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

C22H21N7O — CID 71520770

IUPAC4-[4-(1H-indazol-4-yl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine
SMILESc1cc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccncc2)c2cn[nH]c2c1
InChIInChI=1S/C22H21N7O/c1-2-16(18-14-24-27-19(18)3-1)20-17-6-9-29(15-4-7-23-8-5-15)21(17)26-22(25-20)28-10-12-30-13-11-28/h1-5,7-8,14H,6,9-13H2,(H,24,27)
InChIKeyFTERFRVZARDIFW-UHFFFAOYSA-N
MW399.46 g/mol
LogP2.95
Rot. Bonds3

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

4-[4-(1H-indazol-4-yl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine (PubChem CID 71520770) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is 4-[4-(1H-indazol-4-yl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(1H-indazol-4-yl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine
PubChem CID71520770
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name4-[4-(1H-indazol-4-yl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine
SMILESc1cc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccncc2)c2cn[nH]c2c1
InChIInChI=1S/C22H21N7O/c1-2-16(18-14-24-27-19(18)3-1)20-17-6-9-29(15-4-7-23-8-5-15)21(17)26-22(25-20)28-10-12-30-13-11-28/h1-5,7-8,14H,6,9-13H2,(H,24,27)
InChIKeyFTERFRVZARDIFW-UHFFFAOYSA-N
XLogP2.95
TPSA83.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[4-(1H-indazol-4-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

CID 59473233
CID 59473233
CID 118869362
CID 118869362
CID 56927660
CID 56927660
CID 60182389
CID 60182389
CID 44129608
CID 44129608
CID 60148794
CID 60148794
CID 60148924
CID 60148924
CID 155925935
CID 155925935
CID 10111591
CID 10111591
CID 11532472
CID 11532472
CID 25023743
CID 25023743
CID 25196900
CID 25196900

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-indazol-4-yl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-(1H-indazol-4-yl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine (CID 71520770) is 4-[4-(1H-indazol-4-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-4-yl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-(1H-indazol-4-yl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine is c1cc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccncc2)c2cn[nH]c2c1.
What is the InChIKey of 4-[4-(1H-indazol-4-yl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine?
The InChIKey is FTERFRVZARDIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c1-2-16(18-14-24-27-19(18)3-1)20-17-6-9-29(15-4-7-23-8-5-15)21(17)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-4-yl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine?
4-[4-(1H-indazol-4-yl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine has a molecular weight of 399.46 g/mol, XLogP of 2.95, 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-4-yl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 71520770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).