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

C27H33N7 — CID 155175220

IUPACN-(cyclopropylmethyl)-7-[2-[3-[4-(2-methylhydrazinyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]ethyl]quinolin-2-amine
SMILESCNNc1ncnc2c1ccn2C1CCC(CCc2ccc3ccc(NCC4CC4)nc3c2)C1
InChIInChI=1S/C27H33N7/c1-28-33-26-23-12-13-34(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/h6,8-9,11-13,15,17-18,20,22,28H,2-5,7,10,14,16H2,1H3,(H,29,32)(H,30,31,33)
InChIKeyVVPJMKPZSSFHCZ-UHFFFAOYSA-N
MW455.61 g/mol
LogP5.32
Rot. Bonds9

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

N-(cyclopropylmethyl)-7-[2-[3-[4-(2-methylhydrazinyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]ethyl]quinolin-2-amine (PubChem CID 155175220) has the molecular formula C27H33N7 and a molecular weight of 455.61 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-7-[2-[3-[4-(2-methylhydrazinyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]ethyl]quinolin-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-7-[2-[3-[4-(2-methylhydrazinyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]ethyl]quinolin-2-amine
PubChem CID155175220
Molecular FormulaC27H33N7
Molecular Weight455.61 g/mol
Exact Mass455.28
IUPAC NameN-(cyclopropylmethyl)-7-[2-[3-[4-(2-methylhydrazinyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]ethyl]quinolin-2-amine
SMILESCNNc1ncnc2c1ccn2C1CCC(CCc2ccc3ccc(NCC4CC4)nc3c2)C1
InChIInChI=1S/C27H33N7/c1-28-33-26-23-12-13-34(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/h6,8-9,11-13,15,17-18,20,22,28H,2-5,7,10,14,16H2,1H3,(H,29,32)(H,30,31,33)
InChIKeyVVPJMKPZSSFHCZ-UHFFFAOYSA-N
XLogP5.32
TPSA79.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.61
LogP ≤ 55.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(cyclopropylmethyl)-7-[2-[3-[4-(2-methylhydrazinyl)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-(2-methylhydrazinyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]ethyl]quinolin-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-7-[2-[3-[4-(2-methylhydrazinyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]ethyl]quinolin-2-amine (CID 155175220) is N-(cyclopropylmethyl)-7-[2-[3-[4-(2-methylhydrazinyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]ethyl]quinolin-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-7-[2-[3-[4-(2-methylhydrazinyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]ethyl]quinolin-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-7-[2-[3-[4-(2-methylhydrazinyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]ethyl]quinolin-2-amine is CNNc1ncnc2c1ccn2C1CCC(CCc2ccc3ccc(NCC4CC4)nc3c2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-7-[2-[3-[4-(2-methylhydrazinyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]ethyl]quinolin-2-amine?
The InChIKey is VVPJMKPZSSFHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7/c1-28-33-26-23-12-13-34(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/h6,8-9,11-13,15,17-18,20,22,28H,2-5,7,10,14,16H2,1H3,(H,29,32)(H,30,31,33).
What are the key properties of N-(cyclopropylmethyl)-7-[2-[3-[4-(2-methylhydrazinyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]ethyl]quinolin-2-amine?
N-(cyclopropylmethyl)-7-[2-[3-[4-(2-methylhydrazinyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]ethyl]quinolin-2-amine has a molecular weight of 455.61 g/mol, XLogP of 5.32, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-7-[2-[3-[4-(2-methylhydrazinyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]ethyl]quinolin-2-amine is sourced from PubChem (CID 155175220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).