N-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine

C24H26N6O2 — CID 91668530

IUPACN-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
SMILESCOc1cc(OC2CCN(C)CC2)ccc1Nc1nccc(-c2c[nH]c3cnccc23)n1
InChIInChI=1S/C24H26N6O2/c1-30-11-7-16(8-12-30)32-17-3-4-21(23(13-17)31-2)29-24-26-10-6-20(28-24)19-14-27-22-15-25-9-5-18(19)22/h3-6,9-10,13-16,27H,7-8,11-12H2,1-2H3,(H,26,28,29)
InChIKeyFTZQWKAIKYEWPM-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.25
Rot. Bonds6

About N-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine

N-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine (PubChem CID 91668530) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
PubChem CID91668530
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC NameN-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
SMILESCOc1cc(OC2CCN(C)CC2)ccc1Nc1nccc(-c2c[nH]c3cnccc23)n1
InChIInChI=1S/C24H26N6O2/c1-30-11-7-16(8-12-30)32-17-3-4-21(23(13-17)31-2)29-24-26-10-6-20(28-24)19-14-27-22-15-25-9-5-18(19)22/h3-6,9-10,13-16,27H,7-8,11-12H2,1-2H3,(H,26,28,29)
InChIKeyFTZQWKAIKYEWPM-UHFFFAOYSA-N
XLogP4.25
TPSA88.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)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-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine?
The IUPAC name of N-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine (CID 91668530) is N-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine?
The canonical SMILES for N-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine is COc1cc(OC2CCN(C)CC2)ccc1Nc1nccc(-c2c[nH]c3cnccc23)n1.
What is the InChIKey of N-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine?
The InChIKey is FTZQWKAIKYEWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-30-11-7-16(8-12-30)32-17-3-4-21(23(13-17)31-2)29-24-26-10-6-20(28-24)19-14-27-22-15-25-9-5-18(19)22/h3-6,9-10,13-16,27H,7-8,11-12H2,1-2H3,(H,26,28,29).
What are the key properties of N-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine?
N-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine has a molecular weight of 430.51 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 91668530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).