(1R)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]butan-1-amine

C22H21F2N5 — CID 130231679

IUPAC(1R)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]butan-1-amine
SMILESCCC[C@@H](N)c1cccc(-c2ccc3cnn(-c4cccc(C(F)F)n4)c3c2)n1
InChIInChI=1S/C22H21F2N5/c1-2-5-16(25)18-7-3-6-17(27-18)14-10-11-15-13-26-29(20(15)12-14)21-9-4-8-19(28-21)22(23)24/h3-4,6-13,16,22H,2,5,25H2,1H3/t16-/m1/s1
InChIKeySGQGWLMXTCTXMF-MRXNPFEDSA-N
MW393.44 g/mol
LogP5.22
Rot. Bonds6

About (1R)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]butan-1-amine

(1R)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]butan-1-amine (PubChem CID 130231679) has the molecular formula C22H21F2N5 and a molecular weight of 393.44 g/mol. Its IUPAC name is (1R)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]butan-1-amine.

Molecular Properties

Compound Name(1R)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]butan-1-amine
PubChem CID130231679
Molecular FormulaC22H21F2N5
Molecular Weight393.44 g/mol
Exact Mass393.18
IUPAC Name(1R)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]butan-1-amine
SMILESCCC[C@@H](N)c1cccc(-c2ccc3cnn(-c4cccc(C(F)F)n4)c3c2)n1
InChIInChI=1S/C22H21F2N5/c1-2-5-16(25)18-7-3-6-17(27-18)14-10-11-15-13-26-29(20(15)12-14)21-9-4-8-19(28-21)22(23)24/h3-4,6-13,16,22H,2,5,25H2,1H3/t16-/m1/s1
InChIKeySGQGWLMXTCTXMF-MRXNPFEDSA-N
XLogP5.22
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.44
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]butan-1-amine?
The IUPAC name of (1R)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]butan-1-amine (CID 130231679) is (1R)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]butan-1-amine.
What is the SMILES notation for (1R)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]butan-1-amine?
The canonical SMILES for (1R)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]butan-1-amine is CCC[C@@H](N)c1cccc(-c2ccc3cnn(-c4cccc(C(F)F)n4)c3c2)n1.
What is the InChIKey of (1R)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]butan-1-amine?
The InChIKey is SGQGWLMXTCTXMF-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H21F2N5/c1-2-5-16(25)18-7-3-6-17(27-18)14-10-11-15-13-26-29(20(15)12-14)21-9-4-8-19(28-21)22(23)24/h3-4,6-13,16,22H,2,5,25H2,1H3/t16-/m1/s1.
What are the key properties of (1R)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]butan-1-amine?
(1R)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]butan-1-amine has a molecular weight of 393.44 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]butan-1-amine is sourced from PubChem (CID 130231679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).