N-[(2R)-2-fluorobutyl]-N-methyl-4-(6-propan-2-yloxyindazol-1-yl)pyridin-2-amine

C20H25FN4O — CID 166841925

IUPACN-[(2R)-2-fluorobutyl]-N-methyl-4-(6-propan-2-yloxyindazol-1-yl)pyridin-2-amine
SMILESCC[C@@H](F)CN(C)c1cc(-n2ncc3ccc(OC(C)C)cc32)ccn1
InChIInChI=1S/C20H25FN4O/c1-5-16(21)13-24(4)20-10-17(8-9-22-20)25-19-11-18(26-14(2)3)7-6-15(19)12-23-25/h6-12,14,16H,5,13H2,1-4H3/t16-/m1/s1
InChIKeyAQPPRQQEAVEOFA-MRXNPFEDSA-N
MW356.45 g/mol
LogP4.39
Rot. Bonds7

About N-[(2R)-2-fluorobutyl]-N-methyl-4-(6-propan-2-yloxyindazol-1-yl)pyridin-2-amine

N-[(2R)-2-fluorobutyl]-N-methyl-4-(6-propan-2-yloxyindazol-1-yl)pyridin-2-amine (PubChem CID 166841925) has the molecular formula C20H25FN4O and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[(2R)-2-fluorobutyl]-N-methyl-4-(6-propan-2-yloxyindazol-1-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(2R)-2-fluorobutyl]-N-methyl-4-(6-propan-2-yloxyindazol-1-yl)pyridin-2-amine
PubChem CID166841925
Molecular FormulaC20H25FN4O
Molecular Weight356.45 g/mol
Exact Mass356.20
IUPAC NameN-[(2R)-2-fluorobutyl]-N-methyl-4-(6-propan-2-yloxyindazol-1-yl)pyridin-2-amine
SMILESCC[C@@H](F)CN(C)c1cc(-n2ncc3ccc(OC(C)C)cc32)ccn1
InChIInChI=1S/C20H25FN4O/c1-5-16(21)13-24(4)20-10-17(8-9-22-20)25-19-11-18(26-14(2)3)7-6-15(19)12-23-25/h6-12,14,16H,5,13H2,1-4H3/t16-/m1/s1
InChIKeyAQPPRQQEAVEOFA-MRXNPFEDSA-N
XLogP4.39
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-fluorobutyl]-N-methyl-4-(6-propan-2-yloxyindazol-1-yl)pyridin-2-amine?
The IUPAC name of N-[(2R)-2-fluorobutyl]-N-methyl-4-(6-propan-2-yloxyindazol-1-yl)pyridin-2-amine (CID 166841925) is N-[(2R)-2-fluorobutyl]-N-methyl-4-(6-propan-2-yloxyindazol-1-yl)pyridin-2-amine.
What is the SMILES notation for N-[(2R)-2-fluorobutyl]-N-methyl-4-(6-propan-2-yloxyindazol-1-yl)pyridin-2-amine?
The canonical SMILES for N-[(2R)-2-fluorobutyl]-N-methyl-4-(6-propan-2-yloxyindazol-1-yl)pyridin-2-amine is CC[C@@H](F)CN(C)c1cc(-n2ncc3ccc(OC(C)C)cc32)ccn1.
What is the InChIKey of N-[(2R)-2-fluorobutyl]-N-methyl-4-(6-propan-2-yloxyindazol-1-yl)pyridin-2-amine?
The InChIKey is AQPPRQQEAVEOFA-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25FN4O/c1-5-16(21)13-24(4)20-10-17(8-9-22-20)25-19-11-18(26-14(2)3)7-6-15(19)12-23-25/h6-12,14,16H,5,13H2,1-4H3/t16-/m1/s1.
What are the key properties of N-[(2R)-2-fluorobutyl]-N-methyl-4-(6-propan-2-yloxyindazol-1-yl)pyridin-2-amine?
N-[(2R)-2-fluorobutyl]-N-methyl-4-(6-propan-2-yloxyindazol-1-yl)pyridin-2-amine has a molecular weight of 356.45 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-fluorobutyl]-N-methyl-4-(6-propan-2-yloxyindazol-1-yl)pyridin-2-amine is sourced from PubChem (CID 166841925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).