4-[2-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-pyridinyl]-N-[3-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C32H33N7O — CID 126616659

IUPAC4-[2-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-pyridinyl]-N-[3-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESNCC1(c2cc(-c3nc(Nc4cccc(CN5CCOCC5)c4)nc4[nH]ccc34)ccn2)Cc2ccccc2C1
InChIInChI=1S/C32H33N7O/c33-21-32(18-24-5-1-2-6-25(24)19-32)28-17-23(8-10-34-28)29-27-9-11-35-30(27)38-31(37-29)36-26-7-3-4-22(16-26)20-39-12-14-40-15-13-39/h1-11,16-17H,12-15,18-21,33H2,(H2,35,36,37,38)
InChIKeyMYUYPWZCXDJFIG-UHFFFAOYSA-N
MW531.66 g/mol
LogP4.59
Rot. Bonds7

About 4-[2-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-pyridinyl]-N-[3-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

4-[2-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-pyridinyl]-N-[3-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 126616659) has the molecular formula C32H33N7O and a molecular weight of 531.66 g/mol. Its IUPAC name is 4-[2-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-pyridinyl]-N-[3-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-pyridinyl]-N-[3-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID126616659
Molecular FormulaC32H33N7O
Molecular Weight531.66 g/mol
Exact Mass531.27
IUPAC Name4-[2-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-pyridinyl]-N-[3-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESNCC1(c2cc(-c3nc(Nc4cccc(CN5CCOCC5)c4)nc4[nH]ccc34)ccn2)Cc2ccccc2C1
InChIInChI=1S/C32H33N7O/c33-21-32(18-24-5-1-2-6-25(24)19-32)28-17-23(8-10-34-28)29-27-9-11-35-30(27)38-31(37-29)36-26-7-3-4-22(16-26)20-39-12-14-40-15-13-39/h1-11,16-17H,12-15,18-21,33H2,(H2,35,36,37,38)
InChIKeyMYUYPWZCXDJFIG-UHFFFAOYSA-N
XLogP4.59
TPSA104.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.66
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[2-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-pyridinyl]-N-[3-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-pyridinyl]-N-[3-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-[2-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-pyridinyl]-N-[3-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 126616659) is 4-[2-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-pyridinyl]-N-[3-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-pyridinyl]-N-[3-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-[2-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-pyridinyl]-N-[3-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is NCC1(c2cc(-c3nc(Nc4cccc(CN5CCOCC5)c4)nc4[nH]ccc34)ccn2)Cc2ccccc2C1.
What is the InChIKey of 4-[2-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-pyridinyl]-N-[3-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is MYUYPWZCXDJFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N7O/c33-21-32(18-24-5-1-2-6-25(24)19-32)28-17-23(8-10-34-28)29-27-9-11-35-30(27)38-31(37-29)36-26-7-3-4-22(16-26)20-39-12-14-40-15-13-39/h1-11,16-17H,12-15,18-21,33H2,(H2,35,36,37,38).
What are the key properties of 4-[2-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-pyridinyl]-N-[3-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
4-[2-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-pyridinyl]-N-[3-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 531.66 g/mol, XLogP of 4.59, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-pyridinyl]-N-[3-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 126616659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).