N-[(1S)-1-(8-methyl-2-pyridin-3-ylquinolin-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C22H19N7 — CID 89431847

IUPACN-[(1S)-1-(8-methyl-2-pyridin-3-ylquinolin-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1cccc2cc([C@H](C)Nc3ncnc4[nH]ncc34)c(-c3cccnc3)nc12
InChIInChI=1S/C22H19N7/c1-13-5-3-6-15-9-17(20(28-19(13)15)16-7-4-8-23-10-16)14(2)27-21-18-11-26-29-22(18)25-12-24-21/h3-12,14H,1-2H3,(H2,24,25,26,27,29)/t14-/m0/s1
InChIKeyGANUBLVEGWNEDJ-AWEZNQCLSA-N
MW381.44 g/mol
LogP4.44
Rot. Bonds4

About N-[(1S)-1-(8-methyl-2-pyridin-3-ylquinolin-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[(1S)-1-(8-methyl-2-pyridin-3-ylquinolin-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 89431847) has the molecular formula C22H19N7 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[(1S)-1-(8-methyl-2-pyridin-3-ylquinolin-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-(8-methyl-2-pyridin-3-ylquinolin-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID89431847
Molecular FormulaC22H19N7
Molecular Weight381.44 g/mol
Exact Mass381.17
IUPAC NameN-[(1S)-1-(8-methyl-2-pyridin-3-ylquinolin-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1cccc2cc([C@H](C)Nc3ncnc4[nH]ncc34)c(-c3cccnc3)nc12
InChIInChI=1S/C22H19N7/c1-13-5-3-6-15-9-17(20(28-19(13)15)16-7-4-8-23-10-16)14(2)27-21-18-11-26-29-22(18)25-12-24-21/h3-12,14H,1-2H3,(H2,24,25,26,27,29)/t14-/m0/s1
InChIKeyGANUBLVEGWNEDJ-AWEZNQCLSA-N
XLogP4.44
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(8-methyl-2-pyridin-3-ylquinolin-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(1S)-1-(8-methyl-2-pyridin-3-ylquinolin-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 89431847) is N-[(1S)-1-(8-methyl-2-pyridin-3-ylquinolin-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1S)-1-(8-methyl-2-pyridin-3-ylquinolin-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1S)-1-(8-methyl-2-pyridin-3-ylquinolin-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]ncc34)c(-c3cccnc3)nc12.
What is the InChIKey of N-[(1S)-1-(8-methyl-2-pyridin-3-ylquinolin-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is GANUBLVEGWNEDJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H19N7/c1-13-5-3-6-15-9-17(20(28-19(13)15)16-7-4-8-23-10-16)14(2)27-21-18-11-26-29-22(18)25-12-24-21/h3-12,14H,1-2H3,(H2,24,25,26,27,29)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(8-methyl-2-pyridin-3-ylquinolin-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[(1S)-1-(8-methyl-2-pyridin-3-ylquinolin-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 381.44 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(8-methyl-2-pyridin-3-ylquinolin-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 89431847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).