7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine

C29H34N8O — CID 155161212

IUPAC7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine
SMILESNc1cccc(-n2c(C3CC3)cc3cnc(Nc4ccc(N5CCC(N6CCOCC6)CC5)cc4)nc32)n1
InChIInChI=1S/C29H34N8O/c30-26-2-1-3-27(33-26)37-25(20-4-5-20)18-21-19-31-29(34-28(21)37)32-22-6-8-23(9-7-22)35-12-10-24(11-13-35)36-14-16-38-17-15-36/h1-3,6-9,18-20,24H,4-5,10-17H2,(H2,30,33)(H,31,32,34)
InChIKeyNAJWYJWPHAARJZ-UHFFFAOYSA-N
MW510.65 g/mol
LogP4.32
Rot. Bonds6

About 7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine

7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 155161212) has the molecular formula C29H34N8O and a molecular weight of 510.65 g/mol. Its IUPAC name is 7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID155161212
Molecular FormulaC29H34N8O
Molecular Weight510.65 g/mol
Exact Mass510.29
IUPAC Name7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine
SMILESNc1cccc(-n2c(C3CC3)cc3cnc(Nc4ccc(N5CCC(N6CCOCC6)CC5)cc4)nc32)n1
InChIInChI=1S/C29H34N8O/c30-26-2-1-3-27(33-26)37-25(20-4-5-20)18-21-19-31-29(34-28(21)37)32-22-6-8-23(9-7-22)35-12-10-24(11-13-35)36-14-16-38-17-15-36/h1-3,6-9,18-20,24H,4-5,10-17H2,(H2,30,33)(H,31,32,34)
InChIKeyNAJWYJWPHAARJZ-UHFFFAOYSA-N
XLogP4.32
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.65
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine (CID 155161212) is 7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine is Nc1cccc(-n2c(C3CC3)cc3cnc(Nc4ccc(N5CCC(N6CCOCC6)CC5)cc4)nc32)n1.
What is the InChIKey of 7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is NAJWYJWPHAARJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N8O/c30-26-2-1-3-27(33-26)37-25(20-4-5-20)18-21-19-31-29(34-28(21)37)32-22-6-8-23(9-7-22)35-12-10-24(11-13-35)36-14-16-38-17-15-36/h1-3,6-9,18-20,24H,4-5,10-17H2,(H2,30,33)(H,31,32,34).
What are the key properties of 7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine?
7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 510.65 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-amino-2-pyridinyl)-6-cyclopropyl-N-[4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 155161212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).