N-[(3-fluoropiperidin-3-yl)methyl]-7-(5-methoxy-3-pyridinyl)pyrido[3,4-b]pyrazin-5-amine

C19H21FN6O — CID 66555180

IUPACN-[(3-fluoropiperidin-3-yl)methyl]-7-(5-methoxy-3-pyridinyl)pyrido[3,4-b]pyrazin-5-amine
SMILESCOc1cncc(-c2cc3nccnc3c(NCC3(F)CCCNC3)n2)c1
InChIInChI=1S/C19H21FN6O/c1-27-14-7-13(9-22-10-14)15-8-16-17(24-6-5-23-16)18(26-15)25-12-19(20)3-2-4-21-11-19/h5-10,21H,2-4,11-12H2,1H3,(H,25,26)
InChIKeyJNKRDQMDLHGUIH-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.60
Rot. Bonds5

About N-[(3-fluoropiperidin-3-yl)methyl]-7-(5-methoxy-3-pyridinyl)pyrido[3,4-b]pyrazin-5-amine

N-[(3-fluoropiperidin-3-yl)methyl]-7-(5-methoxy-3-pyridinyl)pyrido[3,4-b]pyrazin-5-amine (PubChem CID 66555180) has the molecular formula C19H21FN6O and a molecular weight of 368.42 g/mol. Its IUPAC name is N-[(3-fluoropiperidin-3-yl)methyl]-7-(5-methoxy-3-pyridinyl)pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound NameN-[(3-fluoropiperidin-3-yl)methyl]-7-(5-methoxy-3-pyridinyl)pyrido[3,4-b]pyrazin-5-amine
PubChem CID66555180
Molecular FormulaC19H21FN6O
Molecular Weight368.42 g/mol
Exact Mass368.18
IUPAC NameN-[(3-fluoropiperidin-3-yl)methyl]-7-(5-methoxy-3-pyridinyl)pyrido[3,4-b]pyrazin-5-amine
SMILESCOc1cncc(-c2cc3nccnc3c(NCC3(F)CCCNC3)n2)c1
InChIInChI=1S/C19H21FN6O/c1-27-14-7-13(9-22-10-14)15-8-16-17(24-6-5-23-16)18(26-15)25-12-19(20)3-2-4-21-11-19/h5-10,21H,2-4,11-12H2,1H3,(H,25,26)
InChIKeyJNKRDQMDLHGUIH-UHFFFAOYSA-N
XLogP2.60
TPSA84.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoropiperidin-3-yl)methyl]-7-(5-methoxy-3-pyridinyl)pyrido[3,4-b]pyrazin-5-amine?
The IUPAC name of N-[(3-fluoropiperidin-3-yl)methyl]-7-(5-methoxy-3-pyridinyl)pyrido[3,4-b]pyrazin-5-amine (CID 66555180) is N-[(3-fluoropiperidin-3-yl)methyl]-7-(5-methoxy-3-pyridinyl)pyrido[3,4-b]pyrazin-5-amine.
What is the SMILES notation for N-[(3-fluoropiperidin-3-yl)methyl]-7-(5-methoxy-3-pyridinyl)pyrido[3,4-b]pyrazin-5-amine?
The canonical SMILES for N-[(3-fluoropiperidin-3-yl)methyl]-7-(5-methoxy-3-pyridinyl)pyrido[3,4-b]pyrazin-5-amine is COc1cncc(-c2cc3nccnc3c(NCC3(F)CCCNC3)n2)c1.
What is the InChIKey of N-[(3-fluoropiperidin-3-yl)methyl]-7-(5-methoxy-3-pyridinyl)pyrido[3,4-b]pyrazin-5-amine?
The InChIKey is JNKRDQMDLHGUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O/c1-27-14-7-13(9-22-10-14)15-8-16-17(24-6-5-23-16)18(26-15)25-12-19(20)3-2-4-21-11-19/h5-10,21H,2-4,11-12H2,1H3,(H,25,26).
What are the key properties of N-[(3-fluoropiperidin-3-yl)methyl]-7-(5-methoxy-3-pyridinyl)pyrido[3,4-b]pyrazin-5-amine?
N-[(3-fluoropiperidin-3-yl)methyl]-7-(5-methoxy-3-pyridinyl)pyrido[3,4-b]pyrazin-5-amine has a molecular weight of 368.42 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoropiperidin-3-yl)methyl]-7-(5-methoxy-3-pyridinyl)pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 66555180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).