N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-amine

C24H26N6O — CID 52934021

IUPACN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-amine
SMILESCc1cnc2[nH]cc(Cc3cnc(NCc4cccnc4OC4CCCC4)nc3)c2c1
InChIInChI=1S/C24H26N6O/c1-16-9-21-19(15-27-22(21)26-11-16)10-17-12-28-24(29-13-17)30-14-18-5-4-8-25-23(18)31-20-6-2-3-7-20/h4-5,8-9,11-13,15,20H,2-3,6-7,10,14H2,1H3,(H,26,27)(H,28,29,30)
InChIKeyYCQPSLMXEFOESN-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.58
Rot. Bonds7

About N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-amine

N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-amine (PubChem CID 52934021) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-amine
PubChem CID52934021
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-amine
SMILESCc1cnc2[nH]cc(Cc3cnc(NCc4cccnc4OC4CCCC4)nc3)c2c1
InChIInChI=1S/C24H26N6O/c1-16-9-21-19(15-27-22(21)26-11-16)10-17-12-28-24(29-13-17)30-14-18-5-4-8-25-23(18)31-20-6-2-3-7-20/h4-5,8-9,11-13,15,20H,2-3,6-7,10,14H2,1H3,(H,26,27)(H,28,29,30)
InChIKeyYCQPSLMXEFOESN-UHFFFAOYSA-N
XLogP4.58
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]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 N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-amine?
The IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-amine (CID 52934021) is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-amine is Cc1cnc2[nH]cc(Cc3cnc(NCc4cccnc4OC4CCCC4)nc3)c2c1.
What is the InChIKey of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-amine?
The InChIKey is YCQPSLMXEFOESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-16-9-21-19(15-27-22(21)26-11-16)10-17-12-28-24(29-13-17)30-14-18-5-4-8-25-23(18)31-20-6-2-3-7-20/h4-5,8-9,11-13,15,20H,2-3,6-7,10,14H2,1H3,(H,26,27)(H,28,29,30).
What are the key properties of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-amine?
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-amine has a molecular weight of 414.51 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 52934021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).