N-(cyclopropylmethyl)-7-[2-[3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]ethyl]quinolin-2-amine

C27H32N6 — CID 166776430

IUPACN-(cyclopropylmethyl)-7-[2-[3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]ethyl]quinolin-2-amine
SMILESCNc1ncnc2c1ccn2C1CCC(CCc2ccc3ccc(NCC4CC4)nc3c2)C1
InChIInChI=1S/C27H32N6/c1-28-26-23-12-13-33(27(23)31-17-30-26)22-10-7-18(14-22)2-3-19-6-8-21-9-11-25(32-24(21)15-19)29-16-20-4-5-20/h6,8-9,11-13,15,17-18,20,22H,2-5,7,10,14,16H2,1H3,(H,29,32)(H,28,30,31)
InChIKeyHOLNEKLUWVHNAM-UHFFFAOYSA-N
MW440.60 g/mol
LogP5.82
Rot. Bonds8

About N-(cyclopropylmethyl)-7-[2-[3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]ethyl]quinolin-2-amine

N-(cyclopropylmethyl)-7-[2-[3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]ethyl]quinolin-2-amine (PubChem CID 166776430) has the molecular formula C27H32N6 and a molecular weight of 440.60 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-7-[2-[3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]ethyl]quinolin-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-7-[2-[3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]ethyl]quinolin-2-amine
PubChem CID166776430
Molecular FormulaC27H32N6
Molecular Weight440.60 g/mol
Exact Mass440.27
IUPAC NameN-(cyclopropylmethyl)-7-[2-[3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]ethyl]quinolin-2-amine
SMILESCNc1ncnc2c1ccn2C1CCC(CCc2ccc3ccc(NCC4CC4)nc3c2)C1
InChIInChI=1S/C27H32N6/c1-28-26-23-12-13-33(27(23)31-17-30-26)22-10-7-18(14-22)2-3-19-6-8-21-9-11-25(32-24(21)15-19)29-16-20-4-5-20/h6,8-9,11-13,15,17-18,20,22H,2-5,7,10,14,16H2,1H3,(H,29,32)(H,28,30,31)
InChIKeyHOLNEKLUWVHNAM-UHFFFAOYSA-N
XLogP5.82
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.60
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(cyclopropylmethyl)-7-[2-[3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]ethyl]quinolin-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-(cyclopropylmethyl)-7-[2-[3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]ethyl]quinolin-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-7-[2-[3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]ethyl]quinolin-2-amine (CID 166776430) is N-(cyclopropylmethyl)-7-[2-[3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]ethyl]quinolin-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-7-[2-[3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]ethyl]quinolin-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-7-[2-[3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]ethyl]quinolin-2-amine is CNc1ncnc2c1ccn2C1CCC(CCc2ccc3ccc(NCC4CC4)nc3c2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-7-[2-[3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]ethyl]quinolin-2-amine?
The InChIKey is HOLNEKLUWVHNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6/c1-28-26-23-12-13-33(27(23)31-17-30-26)22-10-7-18(14-22)2-3-19-6-8-21-9-11-25(32-24(21)15-19)29-16-20-4-5-20/h6,8-9,11-13,15,17-18,20,22H,2-5,7,10,14,16H2,1H3,(H,29,32)(H,28,30,31).
What are the key properties of N-(cyclopropylmethyl)-7-[2-[3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]ethyl]quinolin-2-amine?
N-(cyclopropylmethyl)-7-[2-[3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]ethyl]quinolin-2-amine has a molecular weight of 440.60 g/mol, XLogP of 5.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-7-[2-[3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]ethyl]quinolin-2-amine is sourced from PubChem (CID 166776430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).