(1R,5S)-N-methyl-N-[6-[5-(1H-pyrazol-4-yl)-2-pyridinyl]pyridazin-3-yl]-8-azabicyclo[3.2.1]octan-3-amine

C20H23N7 — CID 170373585

IUPAC(1R,5S)-N-methyl-N-[6-[5-(1H-pyrazol-4-yl)-2-pyridinyl]pyridazin-3-yl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN(c1ccc(-c2ccc(-c3cn[nH]c3)cn2)nn1)C1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C20H23N7/c1-27(17-8-15-3-4-16(9-17)24-15)20-7-6-19(25-26-20)18-5-2-13(10-21-18)14-11-22-23-12-14/h2,5-7,10-12,15-17,24H,3-4,8-9H2,1H3,(H,22,23)/t15-,16+,17?
InChIKeyFALAZAJMZVJWFV-SJPCQFCGSA-N
MW361.45 g/mol
LogP2.65
Rot. Bonds4

About (1R,5S)-N-methyl-N-[6-[5-(1H-pyrazol-4-yl)-2-pyridinyl]pyridazin-3-yl]-8-azabicyclo[3.2.1]octan-3-amine

(1R,5S)-N-methyl-N-[6-[5-(1H-pyrazol-4-yl)-2-pyridinyl]pyridazin-3-yl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 170373585) has the molecular formula C20H23N7 and a molecular weight of 361.45 g/mol. Its IUPAC name is (1R,5S)-N-methyl-N-[6-[5-(1H-pyrazol-4-yl)-2-pyridinyl]pyridazin-3-yl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name(1R,5S)-N-methyl-N-[6-[5-(1H-pyrazol-4-yl)-2-pyridinyl]pyridazin-3-yl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID170373585
Molecular FormulaC20H23N7
Molecular Weight361.45 g/mol
Exact Mass361.20
IUPAC Name(1R,5S)-N-methyl-N-[6-[5-(1H-pyrazol-4-yl)-2-pyridinyl]pyridazin-3-yl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN(c1ccc(-c2ccc(-c3cn[nH]c3)cn2)nn1)C1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C20H23N7/c1-27(17-8-15-3-4-16(9-17)24-15)20-7-6-19(25-26-20)18-5-2-13(10-21-18)14-11-22-23-12-14/h2,5-7,10-12,15-17,24H,3-4,8-9H2,1H3,(H,22,23)/t15-,16+,17?
InChIKeyFALAZAJMZVJWFV-SJPCQFCGSA-N
XLogP2.65
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-methyl-N-[6-[5-(1H-pyrazol-4-yl)-2-pyridinyl]pyridazin-3-yl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of (1R,5S)-N-methyl-N-[6-[5-(1H-pyrazol-4-yl)-2-pyridinyl]pyridazin-3-yl]-8-azabicyclo[3.2.1]octan-3-amine (CID 170373585) is (1R,5S)-N-methyl-N-[6-[5-(1H-pyrazol-4-yl)-2-pyridinyl]pyridazin-3-yl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for (1R,5S)-N-methyl-N-[6-[5-(1H-pyrazol-4-yl)-2-pyridinyl]pyridazin-3-yl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for (1R,5S)-N-methyl-N-[6-[5-(1H-pyrazol-4-yl)-2-pyridinyl]pyridazin-3-yl]-8-azabicyclo[3.2.1]octan-3-amine is CN(c1ccc(-c2ccc(-c3cn[nH]c3)cn2)nn1)C1C[C@H]2CC[C@@H](C1)N2.
What is the InChIKey of (1R,5S)-N-methyl-N-[6-[5-(1H-pyrazol-4-yl)-2-pyridinyl]pyridazin-3-yl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is FALAZAJMZVJWFV-SJPCQFCGSA-N. The full InChI is InChI=1S/C20H23N7/c1-27(17-8-15-3-4-16(9-17)24-15)20-7-6-19(25-26-20)18-5-2-13(10-21-18)14-11-22-23-12-14/h2,5-7,10-12,15-17,24H,3-4,8-9H2,1H3,(H,22,23)/t15-,16+,17?.
What are the key properties of (1R,5S)-N-methyl-N-[6-[5-(1H-pyrazol-4-yl)-2-pyridinyl]pyridazin-3-yl]-8-azabicyclo[3.2.1]octan-3-amine?
(1R,5S)-N-methyl-N-[6-[5-(1H-pyrazol-4-yl)-2-pyridinyl]pyridazin-3-yl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 361.45 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-methyl-N-[6-[5-(1H-pyrazol-4-yl)-2-pyridinyl]pyridazin-3-yl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 170373585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).