N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-quinolin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C25H24N8 — CID 154655048

IUPACN-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-quinolin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCN1CCN(c2cc(Nc3ncc4c(-c5ccc6ncccc6c5)c[nH]c4n3)ccn2)CC1
InChIInChI=1S/C25H24N8/c1-32-9-11-33(12-10-32)23-14-19(6-8-27-23)30-25-29-16-21-20(15-28-24(21)31-25)17-4-5-22-18(13-17)3-2-7-26-22/h2-8,13-16H,9-12H2,1H3,(H2,27,28,29,30,31)
InChIKeyCZPMGTUGXOCTDM-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.06
Rot. Bonds4

About N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-quinolin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine

N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-quinolin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 154655048) has the molecular formula C25H24N8 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-quinolin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-quinolin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID154655048
Molecular FormulaC25H24N8
Molecular Weight436.52 g/mol
Exact Mass436.21
IUPAC NameN-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-quinolin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCN1CCN(c2cc(Nc3ncc4c(-c5ccc6ncccc6c5)c[nH]c4n3)ccn2)CC1
InChIInChI=1S/C25H24N8/c1-32-9-11-33(12-10-32)23-14-19(6-8-27-23)30-25-29-16-21-20(15-28-24(21)31-25)17-4-5-22-18(13-17)3-2-7-26-22/h2-8,13-16H,9-12H2,1H3,(H2,27,28,29,30,31)
InChIKeyCZPMGTUGXOCTDM-UHFFFAOYSA-N
XLogP4.06
TPSA85.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-quinolin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-quinolin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 154655048) is N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-quinolin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-quinolin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-quinolin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine is CN1CCN(c2cc(Nc3ncc4c(-c5ccc6ncccc6c5)c[nH]c4n3)ccn2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-quinolin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is CZPMGTUGXOCTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8/c1-32-9-11-33(12-10-32)23-14-19(6-8-27-23)30-25-29-16-21-20(15-28-24(21)31-25)17-4-5-22-18(13-17)3-2-7-26-22/h2-8,13-16H,9-12H2,1H3,(H2,27,28,29,30,31).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-quinolin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-quinolin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 436.52 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-quinolin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 154655048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).